data_2mal_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mal _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.94 119.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -95.41 -75.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -41.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.46 -38.06 68.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -28.98 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.4 t -74.71 -41.31 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -67.99 -20.7 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -52.37 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.17 -20.79 59.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.11 -35.03 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.525 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.01 -57.99 15.48 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.79 -23.8 30.26 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -83.61 -15.47 48.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.12 -48.07 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.4 m -50.24 -37.8 37.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.18 -38.59 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.87 -12.17 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 p -94.27 -12.2 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.02 -1.32 24.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.533 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.53 23.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.05 39.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.41 -166.55 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.97 31.64 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.349 0.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.76 164.52 16.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.759 . . . . 0.0 110.824 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.3 Cg_endo -69.73 -42.71 3.19 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.6 -35.28 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -64.99 -50.89 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -52.6 -50.6 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.68 -46.38 66.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.44 -40.12 91.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -55.6 -57.83 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -57.64 -23.44 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -41.07 63.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.37 -37.91 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -79.18 -34.33 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.43 61.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.7 -9.64 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 82.14 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -80.39 -38.26 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.99 -173.51 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.12 -49.68 0.87 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.1 Cg_exo -47.94 -49.07 14.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.61 -45.64 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -50.51 45.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.27 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.69 -54.19 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.89 -38.65 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.35 -42.41 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -71.89 -32.93 67.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.51 -54.66 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.63 -42.46 56.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 m -75.13 -28.3 60.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.44 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.26 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.43 42.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -98.31 21.84 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.54 116.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 t -59.89 111.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt 58.74 57.89 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.18 139.56 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.03 103.98 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -53.52 -35.51 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.47 -43.53 85.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.28 -40.55 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.13 -27.16 56.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.17 -29.24 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.78 -58.07 14.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -37.31 9.33 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.03 -47.15 91.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 m -83.64 2.2 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 27.65 73.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.02 85.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -89.58 148.73 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.92 156.53 41.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -124.92 167.28 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -99.58 175.81 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.66 124.83 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -179.41 159.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 p -68.51 -11.95 60.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.8 p -110.6 22.57 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.5 m -104.85 142.75 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -120.46 106.98 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.04 125.37 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -95.18 -74.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.69 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.49 -34.36 68.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.18 72.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.0 t -74.94 -42.68 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 m -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.17 -52.28 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.16 -20.08 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.04 -35.63 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.01 -57.89 15.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.72 -23.56 30.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.9 m -83.38 -16.4 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.22 -46.53 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -50.87 -39.85 54.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -84.2 -34.19 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.2 mt -73.14 -8.23 54.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -95.06 -14.66 24.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.47 6.19 21.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.1 -165.61 40.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.18 39.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.82 -166.09 36.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 136.93 41.38 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.313 0.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.513 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.52 163.16 21.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.513 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.8 -41.58 4.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.04 -35.44 80.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -65.5 -51.53 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -51.92 -49.04 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -45.21 85.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.49 -39.55 86.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.78 -56.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -57.74 -24.29 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -72.95 -40.6 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.3 -38.22 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.43 -39.9 64.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -23.67 58.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.48 -16.65 57.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.8 112.55 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -110.16 -39.28 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -84.96 -172.66 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.39 -49.84 1.38 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.583 0.706 . . . . 0.0 111.129 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.96 -50.21 12.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.63 -43.4 93.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -64.27 -26.84 68.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.97 -51.86 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.24 -57.29 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.72 -55.25 20.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.92 -49.17 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -57.07 -48.18 79.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 m -64.82 -29.87 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.16 -56.98 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -50.82 -41.85 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -75.1 -27.08 59.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.03 -51.19 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.75 -17.67 43.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.8 p -92.12 1.74 57.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -84.07 115.36 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.18 122.24 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt 58.5 52.85 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.08 139.52 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -105.89 103.34 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 p -53.47 -36.88 62.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -65.38 -45.99 81.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -66.88 -39.0 87.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.01 79.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.34 56.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.23 -57.26 27.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.2 Cg_endo -69.76 -38.82 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.64 -36.76 91.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.89 -28.52 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.52 1.98 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.21 17.67 70.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.0 p -128.19 119.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.29 153.68 17.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.58 153.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.14 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -124.78 -170.29 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -103.65 175.73 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.41 94.88 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 m -165.97 -176.68 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -80.66 0.29 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -125.67 50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.8 m -121.25 136.42 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.59 94.97 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mp -76.05 119.58 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -95.51 -74.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.97 -35.18 74.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.98 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.9 -39.58 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -69.66 -24.04 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.53 -52.15 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.04 -21.09 59.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.98 -34.67 73.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.525 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.23 -58.06 15.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.628 0.728 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.78 -23.57 30.55 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.38 -17.13 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.71 -50.14 72.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.3 m -50.38 -34.91 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -85.24 -37.16 20.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.1 mt -73.43 -7.12 50.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -94.6 -15.19 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.77 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.51 -164.09 39.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.13 39.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.58 -164.89 34.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.36 43.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 0.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.495 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.77 162.88 24.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.76 -41.72 4.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.2 -33.86 77.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -67.43 -50.09 60.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.37 -49.12 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.19 -45.5 92.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.05 -40.77 93.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.25 -58.34 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -57.33 -23.6 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -73.55 -41.1 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.06 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.16 -32.52 38.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.95 -26.95 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.46 -2.94 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.82 87.47 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -86.89 -39.35 15.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 p -86.62 -172.91 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.1 -49.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.3 Cg_exo -48.04 -43.91 29.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.67 -42.84 95.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -64.53 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -52.36 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.56 -53.8 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.7 m -47.84 -42.62 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.55 -45.54 93.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.2 m -68.62 -31.93 71.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.33 -54.97 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -41.33 55.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -73.62 -29.03 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -55.05 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.03 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.65 -18.39 45.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -100.26 21.98 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.82 118.74 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.8 t -63.36 111.5 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.84 58.09 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.11 139.49 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -108.13 103.62 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -53.49 -35.49 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.35 -43.26 86.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -68.59 -40.51 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.4 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.95 57.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.55 -24.96 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.528 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.2 tp -57.7 -57.7 23.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.8 -39.34 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.34 92.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -76.76 -29.31 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.3 m -83.58 2.13 38.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.73 76.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.51 85.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -89.59 144.19 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.83 156.45 41.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -124.91 169.81 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -102.58 177.94 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.51 112.99 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.5 p -175.12 -171.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.1 p -80.73 0.13 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.7 p -124.29 30.43 6.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -93.55 141.86 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.34 94.87 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.16 147.27 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -143.08 -71.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -33.71 66.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.04 -25.23 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.5 t -75.02 -42.24 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 m -69.3 -23.22 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -51.52 63.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.35 -20.24 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.3 -35.37 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.26 -57.71 17.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -23.95 30.37 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m -83.39 -16.06 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.07 -47.8 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -50.7 -38.41 46.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.01 -34.32 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.26 -8.29 55.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.97 -14.47 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 10.59 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.12 -163.95 39.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.37 40.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.02 -166.53 35.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 137.67 45.05 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.35 0.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.08 164.22 19.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.715 0.769 . . . . 0.0 110.823 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.9 Cg_endo -69.72 -43.21 2.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.6 -34.08 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -65.91 -50.85 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.1 m -52.89 -50.42 63.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.64 -44.79 79.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.32 84.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.1 t -54.75 -58.67 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -56.2 -25.01 45.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -71.14 -42.94 68.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.25 -33.85 76.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.7 mt -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -36.64 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -7.5 53.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.31 -37.44 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -86.63 -172.61 4.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.96 -49.63 0.89 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.567 0.699 . . . . 0.0 111.17 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -48.0 -47.87 17.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -47.58 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -62.45 -26.24 68.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -70.07 -51.12 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.01 -50.97 67.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -56.39 21.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.4 m -48.09 -38.43 17.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.92 -51.73 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.33 -24.9 63.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -75.1 -59.55 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.15 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t -75.12 -27.91 60.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -49.98 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -14.47 60.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -17.14 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 m -92.91 2.58 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.4 mt -84.0 115.01 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -74.32 125.64 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.41 47.99 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.81 139.43 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.45 103.45 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 p -53.39 -36.34 61.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -65.83 -45.12 83.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -67.3 -39.51 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.48 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.08 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.82 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.59 -57.5 26.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -37.68 8.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.54 87.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.58 -28.47 56.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.29 -5.35 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.99 -5.64 82.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.63 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.331 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.98 143.98 26.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.87 158.21 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.58 37.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -124.87 151.34 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 170.7 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -110.59 102.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 p -171.51 -172.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.1 p -80.55 -0.34 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.6 p -117.96 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -122.05 130.96 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -111.63 94.88 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.05 114.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -95.16 -75.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.01 82.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -27.38 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.6 t -74.9 -43.12 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -66.77 -21.75 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -51.74 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.16 -20.07 59.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.4 mt -70.27 -35.25 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.531 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.28 -57.7 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.5 Cg_endo -69.76 -23.94 30.25 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 m -83.56 -15.76 48.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.23 -47.5 76.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -50.46 -38.57 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.17 -35.89 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.19 -11.51 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.6 -12.72 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 -1.12 23.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.38 -167.53 21.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 139.33 40.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.19 -166.71 36.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 136.23 37.77 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.327 0.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.75 164.38 16.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.736 0.779 . . . . 0.0 110.804 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.4 Cg_endo -69.74 -43.59 2.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -65.51 -35.11 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -64.81 -51.47 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.0 m -52.32 -50.74 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.04 -47.03 60.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.87 93.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.98 -58.48 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -57.7 -23.7 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -40.82 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.21 -38.19 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.31 -26.99 38.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.39 -35.1 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.09 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.66 81.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.8 p -85.11 -175.21 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.04 -49.61 0.88 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.1 Cg_exo -47.98 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.64 -43.3 94.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -63.53 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.84 -44.15 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.86 -53.72 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.64 -53.95 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.74 -37.9 14.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -65.09 -44.16 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -71.57 -31.54 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.08 -57.47 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -42.33 54.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.51 -27.3 58.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.37 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.36 -14.46 60.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.17 -18.26 41.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -91.42 1.46 57.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.9 mt -84.17 116.12 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.12 123.5 24.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 58.44 49.87 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.58 139.49 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.85 103.86 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 p -53.24 -35.5 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.15 -44.49 83.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.66 -39.55 84.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.46 81.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.12 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.23 -29.21 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.86 -58.02 15.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.78 -37.38 9.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.93 -47.21 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -75.42 -22.31 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -83.57 1.86 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.63 74.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 p -145.2 84.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -89.48 145.26 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.0 156.43 41.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.627 0.727 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -15.93 37.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -114.81 166.74 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -102.21 173.37 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.16 97.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -149.88 158.68 44.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.69 -12.87 61.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.9 p -113.63 24.44 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.0 m -104.0 142.82 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -118.83 104.87 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.323 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.99 119.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -95.18 -75.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.14 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.96 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.22 -31.15 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.79 -43.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 m -67.79 -22.18 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.71 -53.28 42.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.16 -21.84 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 mt -69.8 -34.3 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.518 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.2 -58.33 14.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.1 Cg_endo -69.76 -23.5 30.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -83.17 -17.15 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.78 -47.29 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -50.5 -38.41 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -85.07 -34.18 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.5 -8.97 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -94.88 -14.11 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.73 7.18 22.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.63 -164.84 39.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.35 40.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 -166.6 35.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 137.29 43.0 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.338 0.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.427 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.92 164.29 18.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.76 -45.87 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.84 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -65.78 -51.86 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.72 -50.42 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -46.42 71.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.549 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.78 93.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.38 -58.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.38 -23.59 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -73.21 -41.37 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.72 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -79.83 -25.42 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -28.54 44.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.71 -3.85 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.93 115.61 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -116.9 -38.95 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -86.9 -171.93 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.42 -49.73 1.16 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.159 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -47.98 -44.93 26.43 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.641 2.228 . . . . 0.0 112.376 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.81 -47.14 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -61.64 -28.52 69.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.5 -52.28 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -58.3 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.84 -52.46 60.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -47.94 -40.54 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.1 -48.46 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.7 -36.87 85.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.26 -53.05 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -50.83 -42.71 58.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -71.79 -28.93 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.6 -56.81 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.51 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.61 -18.13 50.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.427 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -100.52 21.78 12.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.5 mm -94.4 114.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.81 112.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 58.72 55.41 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.99 139.45 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.28 104.19 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.8 p -53.36 -35.37 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.57 -42.14 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.98 -40.87 78.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.31 79.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.55 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.04 -28.15 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -54.58 -58.09 15.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.77 -37.24 9.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.319 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.69 -46.36 92.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.438 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -22.83 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.66 2.21 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.94 41.04 88.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.8 p -145.21 136.07 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.59 137.63 50.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.39 149.68 40.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.53 30.65 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -124.65 -169.85 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -102.81 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.99 102.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 p -176.29 178.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.8 t -80.5 -0.01 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -121.27 48.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 m -118.52 141.06 48.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -126.01 93.92 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mp -76.65 121.43 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -95.16 -75.09 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.72 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.07 -32.08 56.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.08 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.49 -46.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.9 m -65.03 -24.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.61 -52.69 56.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.22 -20.09 59.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.18 -35.65 74.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.531 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.92 -57.87 15.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.75 -23.61 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 m -83.53 -15.82 47.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.02 -47.0 79.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -50.55 -40.89 53.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -83.29 -34.85 25.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.18 -10.58 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -94.57 -13.51 25.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.4 -0.81 23.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.69 -168.12 24.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 138.85 38.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.05 -165.12 36.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.07 41.96 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.347 0.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.511 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.74 163.13 23.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.8 -41.01 4.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -66.32 -36.31 82.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.9 -51.52 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -51.82 -49.26 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.07 84.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -39.55 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -55.7 -56.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -57.5 -24.74 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -72.62 -40.66 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.41 -36.69 45.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.06 58.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.01 -5.37 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 105.95 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -105.44 -39.89 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.9 p -86.31 -173.33 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.07 -49.65 1.02 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.4 Cg_exo -48.03 -40.32 33.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.92 -52.33 56.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -25.66 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.24 -50.67 37.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.71 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.38 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -47.71 -47.75 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -56.68 -39.91 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.9 m -75.05 -29.47 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.27 -57.37 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -50.71 -41.3 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -75.04 -27.86 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.3 -52.7 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.2 -14.67 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.63 -17.88 42.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 t -91.81 1.82 56.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -84.16 109.55 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 t -71.82 123.9 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.49 51.82 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.98 139.52 17.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.03 102.91 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.3 p -53.31 -33.94 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -67.97 -44.07 77.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.32 -39.72 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.24 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.54 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.74 -25.35 60.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.76 -57.27 26.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.77 -39.71 6.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.39 92.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.91 -28.81 55.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.7 m -83.46 1.9 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.05 10.38 65.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.0 p -120.85 119.64 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -97.39 156.04 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.7 153.83 44.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.06 22.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -125.01 -174.52 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 177.0 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.14 95.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -161.35 -174.68 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -80.43 -0.23 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 42.51 3.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 m -109.88 119.94 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.61 94.42 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.716 0.293 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.49 119.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -95.17 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.62 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.37 -34.55 63.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.09 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -74.78 -45.49 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -23.72 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -51.45 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.41 -20.71 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.12 -34.97 73.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.528 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.21 -57.93 16.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.4 Cg_endo -69.77 -23.71 30.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.43 -15.95 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.13 -46.36 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -50.69 -42.48 56.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.72 -38.35 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.04 -12.98 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -94.39 -11.82 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.19 -1.85 25.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -166.5 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.09 39.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.44 -166.86 36.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.42 38.65 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.323 0.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.89 164.42 17.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.72 -45.47 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -64.14 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.76 -50.26 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -52.65 -52.42 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.43 -46.01 58.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.39 91.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -54.96 -59.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -58.26 -22.37 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -40.06 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.66 -38.94 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.66 -38.03 55.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -22.92 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.14 -14.09 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.76 92.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -88.53 -36.01 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 p -86.42 -173.56 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.0 -49.62 0.89 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -48.03 -50.39 11.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.62 -43.74 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -63.69 -27.42 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -71.7 -44.09 64.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.88 63.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.76 -40.55 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -62.24 -44.03 97.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -72.24 -30.57 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.18 -54.74 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -43.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -75.15 -25.83 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.84 -52.03 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.21 -14.57 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -17.08 46.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.4 p -92.57 1.44 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.6 mt -84.22 101.48 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 t -65.16 129.13 38.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mttp 55.06 46.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.18 139.38 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -107.56 103.71 13.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.5 p -53.36 -30.1 37.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.85 -48.24 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.4 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.79 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.63 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.12 -58.02 18.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.3 Cg_endo -69.78 -42.88 3.01 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.71 94.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -77.32 -27.67 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.55 2.94 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.92 40.51 43.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.21 140.48 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -117.67 147.65 42.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.87 158.97 44.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -28.55 24.94 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -136.66 176.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -82.96 160.46 22.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.91 101.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -166.28 -176.0 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.7 p -82.94 5.4 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.8 p -121.55 48.33 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.1 m -116.35 141.84 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -131.52 94.76 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 mp -80.26 147.05 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -143.2 -70.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.1 -35.48 77.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.14 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 t -77.13 -46.89 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -68.68 -25.91 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -63.02 -51.16 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.44 -20.7 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -70.14 -35.3 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.03 -57.98 15.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.67 0.747 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.72 -23.77 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -83.6 -15.48 48.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.0 -47.64 76.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -50.35 -38.93 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -85.06 -34.05 22.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.03 -9.38 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.78 -13.99 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.14 7.58 21.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 -165.25 40.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.33 39.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.34 -166.15 35.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 137.65 44.85 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.373 0.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.422 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.8 164.4 16.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.849 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.6 Cg_endo -69.76 -43.67 2.53 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.72 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.77 -53.0 53.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.5 m -51.81 -49.6 62.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -43.98 77.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.17 -41.05 81.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.88 -57.03 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -57.69 -25.41 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -70.4 -41.2 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.32 -40.05 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mt -76.29 -34.67 59.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.27 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.07 -4.98 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 127.86 47.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -125.87 -38.9 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -91.41 -172.1 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.38 -49.8 1.16 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.525 0.679 . . . . 0.0 111.111 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 42' ' ' THR . 63.5 Cg_exo -47.86 -46.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.84 -47.08 79.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -63.47 -26.42 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -69.89 -46.2 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.26 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.64 -53.62 55.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.09 -39.85 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.48 -57.51 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.44 -23.62 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -75.14 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -50.72 -40.77 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 m -74.5 -28.97 61.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.18 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.37 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.22 -14.81 55.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.6 p -96.04 4.92 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.2 mt -84.03 99.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 t -61.76 124.74 21.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt 58.42 48.82 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.93 139.44 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.7 103.62 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.7 p -53.21 -34.1 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -68.58 -45.1 72.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -69.98 -38.01 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.99 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.56 -27.49 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.75 -25.51 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.526 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.62 -57.35 25.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.672 0.749 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.41 90.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.92 -29.85 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.41 1.84 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.33 9.48 64.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.33 119.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -103.01 155.17 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.45 149.9 41.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.73 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.74 36.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -124.82 168.88 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -84.95 165.75 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mm -115.31 94.52 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -174.75 -178.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -81.12 0.61 35.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 p -113.96 43.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -126.88 142.73 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -138.82 95.01 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.63 115.77 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -95.07 -75.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -38.91 66.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.5 62.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.2 t -77.91 -46.65 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 m -65.02 -23.09 67.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.57 -51.53 67.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.36 -20.46 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.28 -34.84 73.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.524 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.43 -57.82 16.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -23.91 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -83.43 -16.33 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.55 -47.95 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -50.36 -38.2 41.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -85.19 -34.18 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.87 -9.5 58.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -94.86 -13.87 25.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.03 12.56 13.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.66 -164.25 39.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.36 39.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.16 -166.21 35.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 137.71 45.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.333 0.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.418 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.88 164.3 17.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.846 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.2 Cg_endo -69.73 -44.42 2.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.69 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.65 -52.41 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.6 m -52.49 -50.97 61.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.47 -45.68 58.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.4 -41.27 85.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.1 t -54.81 -58.38 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -58.26 -23.75 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -74.25 -39.69 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.16 -39.67 93.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.3 mt -80.02 -25.44 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.78 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.81 -4.84 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.75 86.32 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -86.84 -37.43 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -87.18 -172.32 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.89 -49.58 0.9 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.137 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.1 Cg_exo -48.04 -47.55 18.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.84 -46.41 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.17 -49.51 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.39 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.32 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.83 -37.71 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.72 -44.54 85.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.7 -32.91 70.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.61 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -41.2 59.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -75.19 -27.27 59.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.31 -52.12 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -14.48 60.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.48 -14.62 55.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -96.49 5.66 50.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.1 mt -83.97 110.22 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 t -67.97 127.18 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 58.32 44.57 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.51 139.38 15.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -108.95 104.22 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -53.4 -31.16 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -69.34 -45.46 69.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.67 -37.66 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.71 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.09 -26.26 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.52 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -54.03 -57.96 15.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.76 -36.78 10.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.05 90.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -75.58 -22.32 57.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -83.5 1.69 40.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.79 26.51 74.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -145.4 83.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -89.62 143.82 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.08 156.47 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -13.02 34.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -115.1 155.68 26.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -84.93 168.68 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.0 mm -114.18 108.5 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -179.04 166.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.7 t -76.62 -4.84 45.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.2 p -112.63 34.04 4.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.2 m -121.5 143.64 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -114.06 102.09 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mp -76.78 118.81 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -95.21 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.66 -37.16 67.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.19 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.84 -47.63 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 m -64.64 -22.84 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -48.78 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.06 -22.23 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.0 -33.68 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.516 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.88 -58.2 15.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.77 -23.55 30.63 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 m -82.98 -18.59 39.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -52.22 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.13 -32.08 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -85.18 -39.38 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.77 -8.75 56.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 -13.88 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.77 19.01 7.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.02 -167.08 35.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.79 41.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.98 -169.53 39.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 130.66 17.19 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.366 0.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.38 163.11 27.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -36.11 11.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.06 -36.09 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 t -64.04 -55.1 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -54.92 -47.0 74.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.96 -49.08 43.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.27 -38.06 71.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -56.75 -55.26 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -59.81 -22.72 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -75.16 -37.85 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.76 -50.18 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.1 -32.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -36.43 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.06 -11.29 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.64 82.18 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -86.65 -28.45 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.0 p -93.61 -172.41 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.492 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -81.56 -51.4 0.85 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.722 . . . . 0.0 111.12 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -47.96 -49.08 14.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.84 -44.95 88.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -63.65 -26.52 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -69.98 -51.44 32.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.08 -59.24 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.78 -54.53 27.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -47.78 -47.52 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -56.4 -39.58 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.0 m -75.22 -30.11 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.4 -55.99 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.97 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.5 t -75.03 -25.71 58.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.3 -52.89 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -14.54 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.77 -16.68 47.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.7 p -92.89 0.69 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.2 mt -84.59 110.86 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.1 127.43 33.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm 55.17 48.74 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.65 139.61 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -104.4 101.6 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -54.15 -32.9 56.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -65.11 -47.51 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.57 -40.84 69.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.41 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 -20.48 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.98 -36.35 59.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.9 tp -49.24 -56.87 13.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.701 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.38 -27.03 57.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -77.28 -47.84 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.25 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.53 41.18 99.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.56 81.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.89 -179.75 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.424 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -113.53 158.39 38.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 111.175 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 54.1 Cg_endo -69.72 -7.85 22.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -124.94 168.15 13.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 163.35 19.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 mp -105.5 94.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 p -159.94 177.77 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 p -80.62 -0.02 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -116.5 24.02 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.5 m -97.41 133.21 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -117.08 95.21 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.748 0.309 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -74.77 119.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -95.63 -75.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.45 -31.86 57.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.58 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -74.49 -38.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -70.84 -26.03 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -49.25 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.41 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.16 -15.03 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.53 -37.77 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.592 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.03 -54.35 51.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.79 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.4 m -83.02 -14.85 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.04 -51.58 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.0 m -50.92 -34.21 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -85.31 -38.46 18.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.97 -10.26 59.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.74 -12.21 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.11 -0.28 22.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.39 -170.6 28.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.32 47.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -168.65 39.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.85 23.47 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 0.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.401 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -64.05 163.75 21.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.76 -37.14 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -71.5 -36.34 71.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.08 -54.31 36.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.51 -47.95 72.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.04 -48.75 45.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.48 80.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.11 -55.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.098 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -75.25 -39.0 60.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.44 -46.94 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.41 -37.65 80.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.79 58.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.36 -15.32 46.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 98.34 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.03 -28.84 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.1 p -94.52 -173.91 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.512 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.37 -49.71 1.4 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.551 0.691 . . . . 0.0 111.177 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -48.03 -50.86 11.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.291 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.11 -45.04 90.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -62.92 -26.65 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.99 -51.51 31.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.82 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.37 -52.68 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.28 -39.07 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -65.18 -40.76 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.9 m -73.7 -33.44 64.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -75.13 -57.87 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -40.06 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 -30.04 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -55.2 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.72 55.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.3 -9.79 61.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -109.42 22.1 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mm -95.06 114.85 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.8 t -62.86 110.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mttp 58.41 55.67 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.66 139.75 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -105.6 101.72 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 p -54.24 -35.07 62.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.21 -44.22 89.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -71.16 -41.68 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.78 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.98 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.15 -36.08 58.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.544 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.1 tp -49.52 -56.83 14.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.73 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.13 -25.68 57.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -77.36 -49.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.19 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.33 44.09 97.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.434 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 p -145.31 82.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -96.17 176.51 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.77 157.15 39.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -8.05 22.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -124.74 -170.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.56 169.43 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.59 94.76 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 m -172.69 176.99 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.3 p -80.2 -4.02 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -104.82 20.94 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -115.98 142.48 46.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.06 102.15 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mp -74.91 124.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.14 -74.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.55 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.43 -24.43 38.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.51 -35.0 27.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.2 t -74.95 -44.67 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -67.62 -27.86 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -48.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -23.07 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.44 -31.59 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.509 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -56.76 -58.51 16.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -22.65 31.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 m -82.57 -23.69 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -51.21 -52.62 42.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -51.22 -30.36 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -85.42 -40.63 16.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.54 -7.62 52.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -94.91 -14.26 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 18.96 8.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -167.73 35.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.79 41.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.4 -167.54 38.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 132.05 21.08 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.348 0.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.03 164.02 20.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.3 Cg_endo -69.78 -35.42 12.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -72.96 -35.3 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 t -64.35 -53.86 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.16 -45.02 84.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.45 -50.65 40.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -37.78 89.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.5 t -56.66 -55.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -59.52 -22.85 62.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -38.25 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.2 -51.52 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.73 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.03 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.17 -3.27 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.39 97.09 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -101.67 -35.56 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.85 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.68 -51.97 0.69 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 63.8 Cg_exo -47.94 -35.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.4 -45.51 87.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -56.89 -42.95 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.2 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.46 -56.18 21.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.03 -53.55 56.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.1 -36.87 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -66.29 -52.68 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.4 m -64.59 -28.81 69.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.42 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -50.93 -40.82 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -75.21 -27.71 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.85 -51.75 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.02 -15.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.55 -8.74 63.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -110.05 21.76 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.03 117.58 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 t -68.47 113.38 5.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.24 53.13 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.49 139.81 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.88 103.11 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -54.31 -29.52 47.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -69.47 -43.18 73.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -73.25 -40.59 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.34 94.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.88 -22.12 56.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.32 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.0 tp -50.14 -57.32 13.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.79 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -27.14 59.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -77.04 -48.33 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.16 3.45 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.35 36.87 93.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 p -139.64 81.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.08 175.95 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.37 156.71 40.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 111.171 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.29 23.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -113.29 -169.82 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.87 176.7 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.7 mm -132.25 98.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 p -175.68 -173.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 p -80.55 -0.11 36.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -126.88 48.24 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.8 m -117.91 119.96 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -115.43 96.91 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.316 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -76.2 116.08 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -93.58 -75.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -51.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.62 -42.8 78.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -22.46 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.62 -49.11 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -65.01 -14.17 59.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -54.62 -41.38 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -29.21 53.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.7 mt -71.51 -32.2 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.508 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -51.5 -58.63 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.73 -30.96 21.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.2 0.93 43.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.93 -57.48 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -58.44 -19.25 34.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.26 -42.76 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.12 -8.33 56.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -94.69 -5.22 46.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.82 12.68 27.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -166.18 35.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 157.47 60.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.48 -168.82 27.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.45 79.52 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.312 0.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 163.44 40.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.53 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.29 -39.52 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.9 t -63.01 -51.95 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.8 m -48.13 -45.07 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.41 -39.96 98.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.41 -40.57 54.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.37 -54.85 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -54.74 -26.14 32.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -41.82 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.24 -46.64 79.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.79 -24.49 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.66 -27.89 40.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -3.25 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.86 117.66 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -120.26 -33.32 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p -85.97 -175.49 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.93 -49.52 0.9 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 0.0 111.117 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.8 Cg_exo -47.98 -48.38 16.5 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.99 -40.8 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -64.24 -28.47 69.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.39 -48.72 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.5 77.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.23 -59.17 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.8 -40.23 20.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.76 -43.56 97.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 m -75.11 -28.02 60.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -75.03 -60.38 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.49 -39.9 49.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -75.36 -29.88 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.47 -52.74 19.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.46 60.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.89 -24.59 66.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -94.93 21.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mm -96.4 115.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -54.95 114.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mttt 58.5 50.36 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.39 139.69 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -114.04 105.24 12.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.4 p -52.62 -33.41 46.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.82 -36.78 78.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -72.65 -44.23 62.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.41 -42.29 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.07 -28.15 60.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.68 61.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.2 tp -60.43 -58.68 17.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.83 -32.76 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.45 56.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.17 -28.0 57.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.83 3.84 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.79 8.36 63.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -118.62 85.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.69 148.95 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.4 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -114.63 157.45 42.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 54.4 Cg_endo -69.72 -8.23 23.08 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -124.66 146.58 49.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -85.88 173.46 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.1 121.98 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -179.36 156.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -66.84 -13.47 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.7 p -109.13 23.06 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -106.42 142.36 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -122.84 104.75 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.9 119.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -95.28 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.14 60.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.71 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -74.73 -42.76 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m -65.8 -21.44 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -51.48 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.31 -20.64 58.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.19 -35.12 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.533 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.96 -57.89 15.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.694 0.759 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.76 -23.94 30.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.37 -15.92 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.46 -46.89 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 m -50.85 -39.66 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -84.13 -37.84 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.64 -11.41 60.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -94.42 -12.86 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.34 23.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.44 -168.92 24.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.428 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.18 -165.35 36.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.61 34.6 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.498 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.57 163.29 21.12 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.498 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.78 -41.93 3.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.15 -36.77 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.68 -49.82 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 m -52.23 -50.96 60.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.56 82.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.61 82.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.6 t -54.51 -59.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -58.63 -22.43 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.11 -40.0 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.69 -41.83 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.74 -37.01 62.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.13 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.13 -13.44 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.66 88.19 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.33 -34.97 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -84.95 -176.38 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.13 -49.69 0.86 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.95 -52.16 8.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.16 -42.54 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -62.76 -31.7 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.01 -49.46 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.59 -58.74 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.98 -52.98 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 m -48.23 -38.35 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.35 -41.9 93.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.73 -34.68 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.65 -57.12 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -41.23 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 m -75.0 -28.59 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.3 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.17 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.89 -14.99 73.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.12 22.3 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.2 mm -89.81 108.9 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -56.57 122.34 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.13 46.24 21.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.05 139.63 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.7 103.89 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -53.41 -32.19 48.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -70.23 -43.77 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -71.66 -38.21 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.79 89.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.07 55.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.12 -28.36 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.3 tp -54.1 -57.55 17.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -43.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.06 -32.85 81.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -77.64 -34.28 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.82 1.21 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.86 73.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -145.17 83.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.39 171.57 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 160.06 43.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.47 23.7 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -136.82 163.66 30.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -83.33 163.38 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.54 121.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -177.2 174.38 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 p -80.53 -0.39 37.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.8 p -113.92 36.38 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 65.0 m -123.42 127.76 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -129.04 100.76 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.7 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -74.89 119.1 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -95.26 -76.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.81 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.87 -32.81 55.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 -29.95 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -78.11 -46.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 m -64.77 -27.17 68.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.28 -47.42 84.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.16 -22.07 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mt -70.0 -34.42 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.516 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.15 -58.21 14.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.75 -23.69 30.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 m -83.38 -16.25 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.49 -51.04 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -51.36 -38.78 55.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -79.58 -41.03 28.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.6 -12.12 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -94.59 -12.07 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.37 0.27 23.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.71 -168.84 21.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.23 42.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.94 -169.81 39.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.09 18.24 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.345 0.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 162.98 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.84 8.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -71.04 -35.81 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.5 t -64.17 -55.05 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.09 -47.28 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.99 -50.94 36.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.64 -38.52 93.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.77 -55.75 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -59.91 -25.34 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -35.58 59.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.1 -46.31 81.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 mt -73.68 -34.19 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -24.98 58.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.21 -11.74 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 123.8 40.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -118.86 -37.55 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -87.57 -172.48 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.493 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -80.99 -51.42 0.92 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.97 -47.97 17.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -44.65 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -63.25 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -67.2 -42.87 83.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.13 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.96 -53.2 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.84 -38.39 15.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.53 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.4 m -72.54 -32.97 66.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 mt -74.82 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -41.28 55.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -75.3 -27.71 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.94 -55.9 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.13 -14.68 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -15.83 49.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 1.6 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.0 mt -84.59 107.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.9 131.67 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 54.65 45.29 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.51 139.61 19.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -103.39 101.21 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -54.2 -31.74 53.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.58 -45.87 81.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.04 -42.01 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.65 94.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.44 -22.42 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.0 -34.07 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.526 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -50.08 -57.58 12.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.72 -49.21 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.52 -27.13 58.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -76.95 -47.97 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.09 3.35 35.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.39 41.11 99.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.1 81.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.32 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.79 156.42 41.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -115.05 -176.22 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -100.34 162.07 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.89 107.29 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 p -176.47 155.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.7 t -69.71 -10.56 58.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -111.55 33.32 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -117.21 143.51 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -112.48 106.81 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 mp -79.46 146.8 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -143.05 -70.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.6 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.86 -34.37 57.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.13 -24.44 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 t -76.27 -42.03 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -68.85 -25.38 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -52.13 59.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.21 -20.49 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -70.25 -35.21 73.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.529 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.99 -57.84 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.744 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.78 -23.86 30.25 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.0 m -83.39 -16.02 47.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.95 -48.11 75.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -50.88 -37.05 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -85.2 -37.17 20.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.07 -9.57 58.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -94.76 -13.75 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 10.44 20.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.26 -164.95 40.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.26 39.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.54 -165.35 34.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.67 39.97 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.348 0.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.9 162.87 26.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 52.9 Cg_endo -69.8 -41.25 4.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.282 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -65.33 -50.51 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -52.75 -50.34 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -45.7 73.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.45 87.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -54.7 -59.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -55.81 -24.7 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.72 -43.43 65.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.27 -31.78 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.6 mt -85.73 -31.21 22.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -30.72 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.98 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.79 98.71 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -99.75 -30.92 11.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 p -95.3 -172.18 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.73 -49.62 0.92 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.556 0.693 . . . . 0.0 111.169 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.2 Cg_exo -47.98 -46.03 23.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.66 -50.05 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtm-85 -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.87 -48.77 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -50.48 72.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.0 -54.47 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.16 -35.54 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.84 -56.17 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -27.77 69.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.57 -53.94 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -41.32 56.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -73.21 -32.57 64.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.91 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -22.4 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.21 -17.44 61.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 p -100.05 19.7 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.46 113.7 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.76 114.06 1.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 58.49 52.36 7.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.26 139.52 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.39 104.42 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -53.3 -36.44 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.73 -43.99 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -68.07 -40.66 82.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.54 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.4 -27.53 56.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.69 -27.54 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -56.09 -58.02 18.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -34.39 14.64 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.96 -46.8 70.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -75.63 -20.94 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.3 m -83.52 2.67 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.72 72.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.08 88.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.76 139.17 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.84 157.14 42.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.148 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.71 37.71 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -115.15 177.52 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -104.96 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.88 100.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m -173.1 -179.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 t -77.83 -3.05 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 p -121.96 45.97 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -115.94 141.89 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.53 94.3 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.94 117.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -95.52 -75.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -42.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.42 58.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.88 -26.64 54.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.4 t -74.76 -35.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -73.92 -23.67 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -60.48 -47.35 86.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.77 -22.83 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.6 mt -69.8 -34.88 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.52 -58.37 13.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.3 Cg_endo -69.68 -23.91 30.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.49 -14.98 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.2 -47.85 75.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -50.68 -38.23 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.28 -34.61 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.88 -8.57 56.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -95.51 -13.74 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 10.2 18.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.12 -164.47 40.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.24 39.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.91 -166.35 35.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 136.49 39.07 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.339 0.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.413 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.83 164.47 16.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.22 -34.2 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.7 t -65.64 -51.84 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 m -51.7 -49.22 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.51 -45.55 83.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.54 92.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.58 -58.61 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -58.04 -23.99 56.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.14 -40.68 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.81 -40.24 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.2 -37.26 58.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -24.16 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.92 -12.94 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.59 86.75 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.75 -33.89 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 p -88.22 -173.01 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.494 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.52 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.564 0.697 . . . . 0.0 111.084 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.9 Cg_exo -48.02 -49.03 14.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 -45.79 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -50.98 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.4 -54.3 45.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.85 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.1 -38.71 18.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.15 -41.67 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.8 m -72.52 -34.34 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.1 -57.69 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -40.73 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 m -74.55 -28.76 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -54.49 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.87 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.22 -13.44 57.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -105.81 22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.01 111.19 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.25 122.9 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mttm 56.77 44.95 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.11 139.59 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.23 103.84 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 p -53.46 -34.47 58.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -69.51 -39.24 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.36 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.39 -27.33 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.46 -24.83 60.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -58.62 -57.54 25.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.68 0.753 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -37.27 9.44 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.97 83.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -76.61 -29.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.4 m -83.2 -5.41 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.0 -5.58 82.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.32 86.47 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.333 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -88.67 148.02 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -111.71 157.11 40.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 53.7 Cg_endo -69.82 -20.21 34.83 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.23 160.91 19.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.95 156.61 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.2 mm -90.12 106.14 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -164.8 160.57 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.4 t -74.49 -6.38 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 p -99.83 -24.55 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -51.99 142.96 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -115.41 103.6 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.78 140.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -95.72 -75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -40.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.15 -37.36 71.87 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -25.18 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.8 t -74.79 -44.71 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -64.92 -25.33 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 m -65.37 -52.57 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -20.74 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.34 -35.19 73.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.91 -57.84 15.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -24.08 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.23 -15.83 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.52 -47.61 75.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -50.25 -40.62 48.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -83.03 -38.09 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.64 -12.31 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 p -94.2 -12.47 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.46 -1.42 25.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -167.32 21.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 138.67 38.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.77 -166.5 36.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 136.61 39.76 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.295 0.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.78 164.37 16.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 0.0 110.83 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.75 -43.63 2.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -64.86 -50.94 64.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.9 m -51.85 -50.55 60.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.87 -44.14 81.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.91 -43.76 81.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.2 -60.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.11 -23.9 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.05 -43.46 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.81 -31.44 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.07 -34.98 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.92 -33.27 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.24 -1.71 53.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.7 107.53 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -115.94 -25.52 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -95.35 -173.14 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.497 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.27 0.75 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.497 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.97 -47.34 19.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.74 -46.72 81.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.96 -28.34 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -68.3 -51.23 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.96 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.51 -55.08 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.02 -35.01 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.66 -61.16 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.98 -23.79 67.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.97 -62.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -38.82 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 m -75.2 -30.19 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.54 -54.35 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -24.08 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.6 -18.73 52.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -99.84 21.57 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -94.69 109.75 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -55.55 115.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttm 58.25 53.52 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.36 139.46 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -108.94 103.73 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -53.66 -35.23 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.72 -42.76 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -69.5 -41.27 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -39.43 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.33 -28.33 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.62 -25.27 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.9 tp -57.05 -57.95 21.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.5 Cg_endo -69.81 -40.93 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.628 2.218 . . . . 0.0 112.316 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.76 -37.79 95.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.88 -27.69 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.4 m -83.55 2.79 35.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.76 40.7 57.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.1 140.18 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -125.28 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.09 153.77 44.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -19.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -124.97 -176.2 3.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -104.87 173.64 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.8 115.82 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -179.43 158.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.2 t -72.2 -8.66 55.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.7 p -110.88 37.59 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -123.81 143.2 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -112.77 98.27 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.93 116.33 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -95.71 -75.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.8 -38.26 82.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.45 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.1 t -74.69 -42.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.4 m -65.42 -26.75 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.89 -51.84 65.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 1.5 m-20 -76.3 -14.48 60.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.57 -37.61 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.601 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.19 -54.15 53.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.0 Cg_endo -69.8 -27.31 26.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.358 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -82.45 -16.11 50.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -65.32 -48.03 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -50.72 -37.25 40.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.3 -36.96 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.02 -9.62 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -94.67 -13.8 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.73 6.72 26.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.91 -164.07 37.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.22 39.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.13 -165.41 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.71 45.42 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.352 0.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.6 p -63.79 162.69 26.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.84 -42.35 3.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -35.76 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.14 -50.75 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -51.83 -50.74 60.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 -45.36 78.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.62 87.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.79 -59.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -57.71 -22.92 49.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -40.48 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.26 -36.67 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.7 mt -82.63 -25.41 33.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.84 -37.08 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.22 -3.49 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.7 78.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.57 -38.08 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 p -85.33 -173.83 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.01 -49.62 0.88 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -47.89 -46.76 20.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.391 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.74 -47.94 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.76 -49.89 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.77 -57.5 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.23 -53.68 52.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 m -47.94 -40.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -63.32 -42.02 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.9 m -71.41 -37.41 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.57 -52.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -50.79 -41.93 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -71.31 -30.89 66.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.65 -57.84 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.13 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.66 -15.79 66.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.561 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -103.66 22.11 14.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.53 113.16 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.17 118.42 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttt 58.43 47.67 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.79 139.7 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.78 103.91 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 p -53.37 -34.72 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.6 -43.16 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.13 -40.57 74.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.24 79.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.52 56.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.7 -57.96 20.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -41.49 4.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.84 93.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -77.32 -28.09 53.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.24 2.4 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 40.1 46.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p -145.3 140.71 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -130.87 145.61 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.27 157.9 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.31 35.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.8 168.31 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 168.85 14.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.1 mm -110.18 94.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -166.91 -177.01 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 0.23 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -111.9 26.19 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -102.86 142.05 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.34 94.95 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.94 119.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -95.41 -75.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -41.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.46 -38.06 68.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -28.98 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.4 t -74.71 -41.31 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -67.99 -20.7 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -52.37 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.17 -20.79 59.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.11 -35.03 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.525 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.01 -57.99 15.48 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.79 -23.8 30.26 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -83.61 -15.47 48.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.12 -48.07 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.4 m -50.24 -37.8 37.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.18 -38.59 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.87 -12.17 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 p -94.27 -12.2 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.02 -1.32 24.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.533 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.53 23.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.05 39.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.41 -166.55 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.97 31.64 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.349 0.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.416 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.76 164.52 16.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.759 . . . . 0.0 110.824 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.3 Cg_endo -69.73 -42.71 3.19 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.6 -35.28 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.2 t -64.99 -50.89 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -52.6 -50.6 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.68 -46.38 66.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.44 -40.12 91.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -55.6 -57.83 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -57.64 -23.44 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -41.07 63.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.37 -37.91 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -79.18 -34.33 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.43 61.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.7 -9.64 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 82.14 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -80.39 -38.26 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.99 -173.51 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.12 -49.68 0.87 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.1 Cg_exo -47.94 -49.07 14.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.61 -45.64 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -50.51 45.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.27 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.69 -54.19 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.89 -38.65 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.35 -42.41 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -71.89 -32.93 67.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.51 -54.66 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.63 -42.46 56.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 m -75.13 -28.3 60.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.44 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.26 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.43 42.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -98.31 21.84 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.54 116.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 t -59.89 111.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt 58.74 57.89 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.18 139.56 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.03 103.98 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -53.52 -35.51 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.47 -43.53 85.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.28 -40.55 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.13 -27.16 56.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.17 -29.24 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.78 -58.07 14.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -37.31 9.33 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.03 -47.15 91.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 m -83.64 2.2 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 27.65 73.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.02 85.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -89.58 148.73 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.92 156.53 41.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -124.92 167.28 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -99.58 175.81 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.66 124.83 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -179.41 159.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 p -68.51 -11.95 60.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.8 p -110.6 22.57 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.5 m -104.85 142.75 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -120.46 106.98 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.42 -22.32 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -66.63 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 18.73 11.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.6 t -89.03 120.01 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -85.1 115.06 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.04 125.37 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -95.18 -74.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.69 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.49 -34.36 68.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.18 72.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.0 t -74.94 -42.68 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 m -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.17 -52.28 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.16 -20.08 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.04 -35.63 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.01 -57.89 15.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.72 -23.56 30.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.9 m -83.38 -16.4 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.22 -46.53 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -50.87 -39.85 54.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -84.2 -34.19 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.2 mt -73.14 -8.23 54.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -95.06 -14.66 24.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.47 6.19 21.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.1 -165.61 40.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.18 39.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.82 -166.09 36.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 136.93 41.38 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.313 0.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.513 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.52 163.16 21.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.8 -41.58 4.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.04 -35.44 80.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -65.5 -51.53 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -51.92 -49.04 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -45.21 85.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.49 -39.55 86.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.78 -56.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -57.74 -24.29 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -72.95 -40.6 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.3 -38.22 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.43 -39.9 64.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -23.67 58.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.48 -16.65 57.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.8 112.55 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -110.16 -39.28 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -84.96 -172.66 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.39 -49.84 1.38 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.583 0.706 . . . . 0.0 111.129 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.96 -50.21 12.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.63 -43.4 93.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -64.27 -26.84 68.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.97 -51.86 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.24 -57.29 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.72 -55.25 20.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.92 -49.17 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -57.07 -48.18 79.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 m -64.82 -29.87 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.16 -56.98 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -50.82 -41.85 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -75.1 -27.08 59.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.03 -51.19 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.75 -17.67 43.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.8 p -92.12 1.74 57.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -84.07 115.36 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.18 122.24 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt 58.5 52.85 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.08 139.52 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -105.89 103.34 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 p -53.47 -36.88 62.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -65.38 -45.99 81.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -66.88 -39.0 87.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.01 79.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.34 56.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.23 -57.26 27.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.2 Cg_endo -69.76 -38.82 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.64 -36.76 91.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.89 -28.52 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.52 1.98 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.21 17.67 70.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.0 p -128.19 119.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.29 153.68 17.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.58 153.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.14 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -124.78 -170.29 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -103.65 175.73 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.41 94.88 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 m -165.97 -176.68 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -80.66 0.29 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -125.67 50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.8 m -121.25 136.42 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.59 94.97 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -80.22 -12.18 59.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -80.14 -35.41 36.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -94.9 44.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.6 t -95.03 121.91 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.22 114.97 28.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mp -76.05 119.58 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -95.51 -74.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.97 -35.18 74.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.98 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.9 -39.58 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -69.66 -24.04 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.53 -52.15 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.04 -21.09 59.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -69.98 -34.67 73.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.525 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.23 -58.06 15.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.628 0.728 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.78 -23.57 30.55 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.38 -17.13 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.71 -50.14 72.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.3 m -50.38 -34.91 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -85.24 -37.16 20.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.1 mt -73.43 -7.12 50.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -94.6 -15.19 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.77 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.51 -164.09 39.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.13 39.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.58 -164.89 34.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.36 43.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 0.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.495 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.77 162.88 24.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.76 -41.72 4.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.2 -33.86 77.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -67.43 -50.09 60.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.37 -49.12 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.19 -45.5 92.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.05 -40.77 93.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.25 -58.34 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -57.33 -23.6 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -73.55 -41.1 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.06 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.16 -32.52 38.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.95 -26.95 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.46 -2.94 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.82 87.47 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -86.89 -39.35 15.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 p -86.62 -172.91 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.1 -49.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.3 Cg_exo -48.04 -43.91 29.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.67 -42.84 95.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -64.53 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -52.36 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.56 -53.8 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.7 m -47.84 -42.62 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.55 -45.54 93.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.2 m -68.62 -31.93 71.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.33 -54.97 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -41.33 55.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -73.62 -29.03 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -55.05 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.03 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.65 -18.39 45.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -100.26 21.98 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.82 118.74 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.8 t -63.36 111.5 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.84 58.09 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.11 139.49 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -108.13 103.62 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -53.49 -35.49 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.35 -43.26 86.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -68.59 -40.51 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.4 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.95 57.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.55 -24.96 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.528 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.2 tp -57.7 -57.7 23.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.8 -39.34 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.34 92.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -76.76 -29.31 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.3 m -83.58 2.13 38.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.73 76.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -129.51 85.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -89.59 144.19 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.83 156.45 41.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -124.91 169.81 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -102.58 177.94 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.51 112.99 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.5 p -175.12 -171.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.1 p -80.73 0.13 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.7 p -124.29 30.43 6.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -93.55 141.86 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.34 94.87 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 76.8 m -76.59 -23.63 53.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.17 -21.9 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.76 18.11 12.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.04 130.73 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -97.66 102.03 13.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.16 147.27 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -143.08 -71.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -33.71 66.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.04 -25.23 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.5 t -75.02 -42.24 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 m -69.3 -23.22 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -51.52 63.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.35 -20.24 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.3 -35.37 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.26 -57.71 17.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -23.95 30.37 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m -83.39 -16.06 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.07 -47.8 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -50.7 -38.41 46.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.01 -34.32 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.26 -8.29 55.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.97 -14.47 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 10.59 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.12 -163.95 39.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.37 40.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.02 -166.53 35.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 137.67 45.05 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.35 0.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.08 164.22 19.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.715 0.769 . . . . 0.0 110.823 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.9 Cg_endo -69.72 -43.21 2.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.6 -34.08 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -65.91 -50.85 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.1 m -52.89 -50.42 63.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.64 -44.79 79.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.32 84.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.1 t -54.75 -58.67 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -56.2 -25.01 45.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -71.14 -42.94 68.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.25 -33.85 76.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.7 mt -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -36.64 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -7.5 53.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.31 -37.44 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -86.63 -172.61 4.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.96 -49.63 0.89 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.567 0.699 . . . . 0.0 111.17 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -48.0 -47.87 17.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -47.58 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -62.45 -26.24 68.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -70.07 -51.12 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.01 -50.97 67.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -56.39 21.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.4 m -48.09 -38.43 17.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.92 -51.73 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.33 -24.9 63.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -75.1 -59.55 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.15 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t -75.12 -27.91 60.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.12 -49.98 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -14.47 60.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -17.14 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 m -92.91 2.58 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.4 mt -84.0 115.01 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -74.32 125.64 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.41 47.99 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.81 139.43 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.45 103.45 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 p -53.39 -36.34 61.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -65.83 -45.12 83.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -67.3 -39.51 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.48 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.08 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.82 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.59 -57.5 26.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -37.68 8.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.54 87.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.58 -28.47 56.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.29 -5.35 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.99 -5.64 82.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.63 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.331 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.98 143.98 26.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.87 158.21 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.58 37.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -124.87 151.34 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 170.7 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -110.59 102.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 p -171.51 -172.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.1 p -80.55 -0.34 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.6 p -117.96 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -122.05 130.96 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -111.63 94.88 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -77.73 -4.91 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.26 -22.16 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.93 18.46 14.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.87 128.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -93.41 107.64 19.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.05 114.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -95.16 -75.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.01 82.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -27.38 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.6 t -74.9 -43.12 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -66.77 -21.75 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -51.74 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.16 -20.07 59.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.4 mt -70.27 -35.25 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.531 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.28 -57.7 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.5 Cg_endo -69.76 -23.94 30.25 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 m -83.56 -15.76 48.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.23 -47.5 76.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -50.46 -38.57 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.17 -35.89 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.19 -11.51 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.6 -12.72 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 -1.12 23.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.38 -167.53 21.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 139.33 40.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.19 -166.71 36.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 136.23 37.77 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.327 0.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.75 164.38 16.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.736 0.779 . . . . 0.0 110.804 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.4 Cg_endo -69.74 -43.59 2.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -65.51 -35.11 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -64.81 -51.47 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.0 m -52.32 -50.74 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.04 -47.03 60.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.87 93.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.98 -58.48 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -57.7 -23.7 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -40.82 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.21 -38.19 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.31 -26.99 38.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.39 -35.1 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.09 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.66 81.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.8 p -85.11 -175.21 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.04 -49.61 0.88 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.1 Cg_exo -47.98 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.64 -43.3 94.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -63.53 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.84 -44.15 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.86 -53.72 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.64 -53.95 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.74 -37.9 14.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -65.09 -44.16 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -71.57 -31.54 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.08 -57.47 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -42.33 54.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.51 -27.3 58.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.37 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.36 -14.46 60.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.17 -18.26 41.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -91.42 1.46 57.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.9 mt -84.17 116.12 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.12 123.5 24.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 58.44 49.87 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.58 139.49 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.85 103.86 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 p -53.24 -35.5 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.15 -44.49 83.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.66 -39.55 84.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.46 81.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.12 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.23 -29.21 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.86 -58.02 15.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.78 -37.38 9.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.93 -47.21 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -75.42 -22.31 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -83.57 1.86 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.63 74.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 p -145.2 84.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -89.48 145.26 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.0 156.43 41.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.627 0.727 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -15.93 37.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -114.81 166.74 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -102.21 173.37 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.16 97.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -149.88 158.68 44.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.69 -12.87 61.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.9 p -113.63 24.44 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.0 m -104.0 142.82 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -118.83 104.87 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.01 -24.48 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -22.09 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.85 18.09 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -95.08 134.5 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -91.87 113.34 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.323 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.99 119.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -95.18 -75.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.14 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.96 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.22 -31.15 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.79 -43.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 m -67.79 -22.18 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.71 -53.28 42.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.16 -21.84 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 mt -69.8 -34.3 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.518 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.2 -58.33 14.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.1 Cg_endo -69.76 -23.5 30.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -83.17 -17.15 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.78 -47.29 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -50.5 -38.41 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -85.07 -34.18 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.5 -8.97 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -94.88 -14.11 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.73 7.18 22.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.63 -164.84 39.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.35 40.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 -166.6 35.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 137.29 43.0 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.338 0.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.427 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.92 164.29 18.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.76 -45.87 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.84 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -65.78 -51.86 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.72 -50.42 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -46.42 71.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.549 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.78 93.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.38 -58.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.38 -23.59 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -73.21 -41.37 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.72 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -79.83 -25.42 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -28.54 44.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.71 -3.85 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.93 115.61 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -116.9 -38.95 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -86.9 -171.93 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.42 -49.73 1.16 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.159 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -47.98 -44.93 26.43 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.641 2.228 . . . . 0.0 112.376 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.81 -47.14 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -61.64 -28.52 69.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.5 -52.28 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -58.3 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.84 -52.46 60.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -47.94 -40.54 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.1 -48.46 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.7 -36.87 85.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.26 -53.05 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -50.83 -42.71 58.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -71.79 -28.93 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.6 -56.81 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.51 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.61 -18.13 50.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.427 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -100.52 21.78 12.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.5 mm -94.4 114.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.81 112.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 58.72 55.41 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.99 139.45 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.28 104.19 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.8 p -53.36 -35.37 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.57 -42.14 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.98 -40.87 78.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.31 79.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.55 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.04 -28.15 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -54.58 -58.09 15.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.77 -37.24 9.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.319 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.69 -46.36 92.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.438 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -22.83 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.66 2.21 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.94 41.04 88.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.8 p -145.21 136.07 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.59 137.63 50.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.39 149.68 40.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.53 30.65 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -124.65 -169.85 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -102.81 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.99 102.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 p -176.29 178.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.8 t -80.5 -0.01 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -121.27 48.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 m -118.52 141.06 48.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -126.01 93.92 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.71 -11.69 59.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.13 -36.89 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 p -113.8 54.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.0 t -74.72 130.19 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -93.87 96.85 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mp -76.65 121.43 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -95.16 -75.09 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.72 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.07 -32.08 56.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.08 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.49 -46.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.9 m -65.03 -24.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.61 -52.69 56.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.22 -20.09 59.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -70.18 -35.65 74.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.531 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.92 -57.87 15.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.75 -23.61 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 m -83.53 -15.82 47.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.02 -47.0 79.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -50.55 -40.89 53.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -83.29 -34.85 25.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.18 -10.58 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -94.57 -13.51 25.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.4 -0.81 23.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.69 -168.12 24.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 138.85 38.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.05 -165.12 36.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.07 41.96 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.347 0.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.511 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.74 163.13 23.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.8 -41.01 4.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -66.32 -36.31 82.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -64.9 -51.52 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -51.82 -49.26 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.07 84.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -39.55 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.9 t -55.7 -56.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -57.5 -24.74 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -72.62 -40.66 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.41 -36.69 45.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.06 58.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.01 -5.37 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 105.95 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -105.44 -39.89 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.9 p -86.31 -173.33 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.07 -49.65 1.02 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.4 Cg_exo -48.03 -40.32 33.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.92 -52.33 56.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -25.66 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.24 -50.67 37.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.71 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.38 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -47.71 -47.75 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -56.68 -39.91 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.9 m -75.05 -29.47 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.27 -57.37 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -50.71 -41.3 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -75.04 -27.86 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.3 -52.7 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.2 -14.67 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.63 -17.88 42.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 t -91.81 1.82 56.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -84.16 109.55 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 t -71.82 123.9 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.49 51.82 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.98 139.52 17.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.03 102.91 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.3 p -53.31 -33.94 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -67.97 -44.07 77.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.32 -39.72 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.24 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.54 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.74 -25.35 60.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.76 -57.27 26.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.77 -39.71 6.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.39 92.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.91 -28.81 55.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.7 m -83.46 1.9 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.05 10.38 65.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.0 p -120.85 119.64 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -97.39 156.04 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.7 153.83 44.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.06 22.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -125.01 -174.52 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 177.0 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.14 95.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -161.35 -174.68 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -80.43 -0.23 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 42.51 3.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 m -109.88 119.94 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.61 94.42 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 63.0 m -80.89 -42.98 20.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -53.85 -32.69 53.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -128.87 65.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.86 120.15 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -86.97 111.61 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.716 0.293 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.49 119.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -95.17 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.62 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.37 -34.55 63.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.09 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -74.78 -45.49 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -23.72 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -51.45 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.41 -20.71 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.12 -34.97 73.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.528 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.21 -57.93 16.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.4 Cg_endo -69.77 -23.71 30.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.43 -15.95 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.13 -46.36 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -50.69 -42.48 56.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.72 -38.35 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.04 -12.98 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -94.39 -11.82 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.19 -1.85 25.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -166.5 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.09 39.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.44 -166.86 36.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.42 38.65 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.323 0.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.426 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.89 164.42 17.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.72 -45.47 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -64.14 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -64.76 -50.26 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -52.65 -52.42 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.43 -46.01 58.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.39 91.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.7 t -54.96 -59.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -58.26 -22.37 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -40.06 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.66 -38.94 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.66 -38.03 55.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -22.92 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.14 -14.09 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.76 92.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -88.53 -36.01 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 p -86.42 -173.56 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.0 -49.62 0.89 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -48.03 -50.39 11.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.62 -43.74 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -63.69 -27.42 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -71.7 -44.09 64.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.88 63.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.76 -40.55 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -62.24 -44.03 97.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -72.24 -30.57 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.18 -54.74 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -43.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -75.15 -25.83 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.84 -52.03 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.21 -14.57 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -17.08 46.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.4 p -92.57 1.44 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.6 mt -84.22 101.48 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 t -65.16 129.13 38.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mttp 55.06 46.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.18 139.38 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -107.56 103.71 13.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.5 p -53.36 -30.1 37.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.85 -48.24 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -37.4 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.79 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.63 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.12 -58.02 18.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.3 Cg_endo -69.78 -42.88 3.01 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.71 94.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -77.32 -27.67 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.55 2.94 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.92 40.51 43.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.21 140.48 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -117.67 147.65 42.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.87 158.97 44.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -28.55 24.94 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -136.66 176.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -82.96 160.46 22.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.91 101.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -166.28 -176.0 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.7 p -82.94 5.4 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.8 p -121.55 48.33 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.1 m -116.35 141.84 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -131.52 94.76 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.2 m -80.4 -44.54 19.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -53.03 -31.88 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -130.31 66.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.6 t -73.7 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 110.0 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 mp -80.26 147.05 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -143.2 -70.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.1 -35.48 77.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.14 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 t -77.13 -46.89 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m -68.68 -25.91 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -63.02 -51.16 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.44 -20.7 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 mt -70.14 -35.3 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.03 -57.98 15.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.67 0.747 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.72 -23.77 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -83.6 -15.48 48.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.0 -47.64 76.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -50.35 -38.93 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -85.06 -34.05 22.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.03 -9.38 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.78 -13.99 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.14 7.58 21.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 -165.25 40.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.33 39.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.34 -166.15 35.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 137.65 44.85 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.373 0.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.422 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.8 164.4 16.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.849 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.6 Cg_endo -69.76 -43.67 2.53 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.72 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.77 -53.0 53.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.5 m -51.81 -49.6 62.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -43.98 77.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.17 -41.05 81.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.88 -57.03 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 111.142 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -57.69 -25.41 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -70.4 -41.2 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.32 -40.05 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mt -76.29 -34.67 59.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.27 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.07 -4.98 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 127.86 47.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -125.87 -38.9 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -91.41 -172.1 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.38 -49.8 1.16 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.525 0.679 . . . . 0.0 111.111 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 42' ' ' THR . 63.5 Cg_exo -47.86 -46.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.84 -47.08 79.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -63.47 -26.42 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -69.89 -46.2 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.26 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.64 -53.62 55.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.09 -39.85 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.48 -57.51 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.44 -23.62 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -75.14 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -50.72 -40.77 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 m -74.5 -28.97 61.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.6 -53.18 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.37 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.22 -14.81 55.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.6 p -96.04 4.92 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.2 mt -84.03 99.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 t -61.76 124.74 21.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt 58.42 48.82 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.93 139.44 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.7 103.62 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.7 p -53.21 -34.1 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -68.58 -45.1 72.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -69.98 -38.01 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.99 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.56 -27.49 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.75 -25.51 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.526 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.62 -57.35 25.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.672 0.749 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.41 90.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.92 -29.85 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.41 1.84 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.33 9.48 64.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.33 119.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -103.01 155.17 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.45 149.9 41.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.73 . . . . 0.0 111.149 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.74 36.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -124.82 168.88 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -84.95 165.75 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mm -115.31 94.52 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -174.75 -178.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -81.12 0.61 35.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 p -113.96 43.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -126.88 142.73 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -138.82 95.01 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.9 m -80.03 -20.76 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -70.22 -19.09 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.69 -20.5 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.0 t -94.39 128.35 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.43 112.18 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.63 115.77 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -95.07 -75.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -38.91 66.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.5 62.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.2 t -77.91 -46.65 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 m -65.02 -23.09 67.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.57 -51.53 67.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.36 -20.46 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.28 -34.84 73.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.524 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.43 -57.82 16.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -23.91 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -83.43 -16.33 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.55 -47.95 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -50.36 -38.2 41.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -85.19 -34.18 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.87 -9.5 58.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -94.86 -13.87 25.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.03 12.56 13.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.66 -164.25 39.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.36 39.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.16 -166.21 35.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 137.71 45.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.333 0.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.418 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.88 164.3 17.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.846 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.2 Cg_endo -69.73 -44.42 2.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.69 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 t -64.65 -52.41 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.6 m -52.49 -50.97 61.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.47 -45.68 58.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.4 -41.27 85.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.1 t -54.81 -58.38 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -58.26 -23.75 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -74.25 -39.69 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.16 -39.67 93.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.3 mt -80.02 -25.44 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.78 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.81 -4.84 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.75 86.32 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -86.84 -37.43 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -87.18 -172.32 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.89 -49.58 0.9 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.137 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.1 Cg_exo -48.04 -47.55 18.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.84 -46.41 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.17 -49.51 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.39 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.32 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.83 -37.71 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.72 -44.54 85.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.7 -32.91 70.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -74.61 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -41.2 59.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -75.19 -27.27 59.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.31 -52.12 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -14.48 60.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.48 -14.62 55.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -96.49 5.66 50.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.1 mt -83.97 110.22 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 t -67.97 127.18 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 58.32 44.57 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.51 139.38 15.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -108.95 104.22 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -53.4 -31.16 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -69.34 -45.46 69.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.67 -37.66 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.71 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.09 -26.26 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.52 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -54.03 -57.96 15.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.76 -36.78 10.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.05 90.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -75.58 -22.32 57.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -83.5 1.69 40.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.79 26.51 74.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -145.4 83.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -89.62 143.82 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.08 156.47 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -13.02 34.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -115.1 155.68 26.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -84.93 168.68 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.0 mm -114.18 108.5 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -179.04 166.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.7 t -76.62 -4.84 45.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.2 p -112.63 34.04 4.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.2 m -121.5 143.64 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -114.06 102.09 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.99 -12.92 61.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -75.12 -29.68 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 p -94.85 36.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.08 119.95 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -103.71 115.01 29.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mp -76.78 118.81 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -95.21 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.66 -37.16 67.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.19 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.84 -47.63 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.1 m -64.64 -22.84 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -48.78 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.06 -22.23 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.0 -33.68 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.516 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.88 -58.2 15.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.77 -23.55 30.63 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 m -82.98 -18.59 39.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -52.22 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.13 -32.08 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -85.18 -39.38 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.77 -8.75 56.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 -13.88 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.77 19.01 7.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.02 -167.08 35.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.79 41.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.98 -169.53 39.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 130.66 17.19 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.366 0.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.38 163.11 27.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -36.11 11.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.06 -36.09 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 t -64.04 -55.1 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -54.92 -47.0 74.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.96 -49.08 43.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.27 -38.06 71.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -56.75 -55.26 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -59.81 -22.72 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -75.16 -37.85 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.76 -50.18 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.1 -32.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -36.43 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.06 -11.29 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.64 82.18 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -86.65 -28.45 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.0 p -93.61 -172.41 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.492 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -81.56 -51.4 0.85 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.722 . . . . 0.0 111.12 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -47.96 -49.08 14.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.84 -44.95 88.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -63.65 -26.52 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -69.98 -51.44 32.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.08 -59.24 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.78 -54.53 27.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -47.78 -47.52 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -56.4 -39.58 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.0 m -75.22 -30.11 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.4 -55.99 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.97 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.5 t -75.03 -25.71 58.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.3 -52.89 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -14.54 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.77 -16.68 47.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.7 p -92.89 0.69 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.2 mt -84.59 110.86 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.1 127.43 33.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm 55.17 48.74 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.65 139.61 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -104.4 101.6 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -54.15 -32.9 56.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -65.11 -47.51 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.57 -40.84 69.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.41 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 -20.48 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.98 -36.35 59.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.9 tp -49.24 -56.87 13.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.701 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.38 -27.03 57.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -77.28 -47.84 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.25 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.53 41.18 99.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.56 81.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.89 -179.75 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.424 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -113.53 158.39 38.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 111.175 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 54.1 Cg_endo -69.72 -7.85 22.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -124.94 168.15 13.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 163.35 19.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 mp -105.5 94.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 p -159.94 177.77 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 p -80.62 -0.02 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -116.5 24.02 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.5 m -97.41 133.21 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -117.08 95.21 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 m -77.13 -4.93 46.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.14 -19.95 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.3 18.57 17.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.4 t -78.33 121.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.83 114.28 28.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.748 0.309 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -74.77 119.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -95.63 -75.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.45 -31.86 57.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.58 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -74.49 -38.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -70.84 -26.03 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -49.25 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.16 -15.03 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.53 -37.77 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.592 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.03 -54.35 51.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.79 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.4 m -83.02 -14.85 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.04 -51.58 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.0 m -50.92 -34.21 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -85.31 -38.46 18.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.97 -10.26 59.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.74 -12.21 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.11 -0.28 22.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.39 -170.6 28.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.32 47.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -168.65 39.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.85 23.47 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 0.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.401 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -64.05 163.75 21.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.76 -37.14 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -71.5 -36.34 71.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.08 -54.31 36.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.51 -47.95 72.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.04 -48.75 45.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.48 80.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.11 -55.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.098 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -75.25 -39.0 60.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.44 -46.94 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.41 -37.65 80.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.79 58.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.36 -15.32 46.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 98.34 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.03 -28.84 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.1 p -94.52 -173.91 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.512 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.37 -49.71 1.4 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.551 0.691 . . . . 0.0 111.177 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -48.03 -50.86 11.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.291 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.11 -45.04 90.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -62.92 -26.65 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.99 -51.51 31.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.82 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.37 -52.68 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.28 -39.07 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -65.18 -40.76 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.9 m -73.7 -33.44 64.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -75.13 -57.87 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -40.06 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 -30.04 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -55.2 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.72 55.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.3 -9.79 61.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -109.42 22.1 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mm -95.06 114.85 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.8 t -62.86 110.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mttp 58.41 55.67 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.66 139.75 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -105.6 101.72 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 p -54.24 -35.07 62.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.21 -44.22 89.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -71.16 -41.68 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.78 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.98 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.15 -36.08 58.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.544 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.1 tp -49.52 -56.83 14.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.73 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.13 -25.68 57.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -77.36 -49.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.19 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.33 44.09 97.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.434 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 p -145.31 82.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -96.17 176.51 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.77 157.15 39.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.134 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -8.05 22.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -124.74 -170.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.56 169.43 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.59 94.76 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 m -172.69 176.99 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.3 p -80.2 -4.02 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -104.82 20.94 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -115.98 142.48 46.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.06 102.15 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.1 m -74.77 -15.62 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -80.08 -38.44 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.2 p -103.91 48.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.1 t -74.9 129.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -98.12 90.94 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 mp -74.91 124.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.14 -74.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.55 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.43 -24.43 38.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.51 -35.0 27.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.2 t -74.95 -44.67 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -67.62 -27.86 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -48.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -23.07 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.44 -31.59 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.509 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -56.76 -58.51 16.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -22.65 31.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 m -82.57 -23.69 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -51.21 -52.62 42.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -51.22 -30.36 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -85.42 -40.63 16.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.54 -7.62 52.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -94.91 -14.26 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 18.96 8.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -167.73 35.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.79 41.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.4 -167.54 38.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 132.05 21.08 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.348 0.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.03 164.02 20.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.3 Cg_endo -69.78 -35.42 12.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -72.96 -35.3 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 t -64.35 -53.86 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.16 -45.02 84.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.45 -50.65 40.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -37.78 89.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.5 t -56.66 -55.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -59.52 -22.85 62.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -38.25 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.2 -51.52 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.73 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.03 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.17 -3.27 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.39 97.09 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -101.67 -35.56 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.85 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.68 -51.97 0.69 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 63.8 Cg_exo -47.94 -35.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.4 -45.51 87.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -56.89 -42.95 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.2 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.46 -56.18 21.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.03 -53.55 56.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.1 -36.87 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -66.29 -52.68 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.4 m -64.59 -28.81 69.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.42 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -50.93 -40.82 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -75.21 -27.71 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.85 -51.75 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.02 -15.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.55 -8.74 63.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -110.05 21.76 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.03 117.58 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 t -68.47 113.38 5.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.24 53.13 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.49 139.81 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.88 103.11 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -54.31 -29.52 47.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -69.47 -43.18 73.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -73.25 -40.59 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.34 94.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.88 -22.12 56.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.32 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.0 tp -50.14 -57.32 13.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.79 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -27.14 59.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -77.04 -48.33 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.16 3.45 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.35 36.87 93.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 p -139.64 81.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.08 175.95 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.37 156.71 40.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 111.171 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.29 23.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -113.29 -169.82 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.87 176.7 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.7 mm -132.25 98.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 p -175.68 -173.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 p -80.55 -0.11 36.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -126.88 48.24 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.8 m -117.91 119.96 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -115.43 96.91 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 m -78.2 -12.29 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.03 -37.17 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.3 p -94.87 44.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.5 t -88.88 128.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -88.66 104.82 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.316 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -76.2 116.08 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -93.58 -75.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -51.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.62 -42.8 78.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -22.46 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.6 t -76.62 -49.11 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -65.01 -14.17 59.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -54.62 -41.38 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -29.21 53.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.7 mt -71.51 -32.2 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.508 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -51.5 -58.63 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.73 -30.96 21.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.2 0.93 43.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.93 -57.48 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -58.44 -19.25 34.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.26 -42.76 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.12 -8.33 56.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -94.69 -5.22 46.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.82 12.68 27.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -166.18 35.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 157.47 60.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.48 -168.82 27.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.45 79.52 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.312 0.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 163.44 40.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.53 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.29 -39.52 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.9 t -63.01 -51.95 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.8 m -48.13 -45.07 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.41 -39.96 98.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.41 -40.57 54.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.37 -54.85 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -54.74 -26.14 32.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -41.82 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.24 -46.64 79.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.79 -24.49 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.66 -27.89 40.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -3.25 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.86 117.66 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -120.26 -33.32 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p -85.97 -175.49 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.93 -49.52 0.9 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 0.0 111.117 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.8 Cg_exo -47.98 -48.38 16.5 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.99 -40.8 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -64.24 -28.47 69.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.39 -48.72 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.5 77.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.23 -59.17 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.8 -40.23 20.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.76 -43.56 97.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 m -75.11 -28.02 60.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -75.03 -60.38 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.49 -39.9 49.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -75.36 -29.88 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.47 -52.74 19.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.46 60.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.89 -24.59 66.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -94.93 21.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mm -96.4 115.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -54.95 114.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mttt 58.5 50.36 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.39 139.69 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -114.04 105.24 12.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.4 p -52.62 -33.41 46.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.82 -36.78 78.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -72.65 -44.23 62.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.41 -42.29 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.07 -28.15 60.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.68 61.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.2 tp -60.43 -58.68 17.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.83 -32.76 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.45 56.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.17 -28.0 57.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.83 3.84 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.79 8.36 63.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -118.62 85.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.69 148.95 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.4 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -114.63 157.45 42.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 54.4 Cg_endo -69.72 -8.23 23.08 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -124.66 146.58 49.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -85.88 173.46 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.1 121.98 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -179.36 156.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -66.84 -13.47 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.7 p -109.13 23.06 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -106.42 142.36 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -122.84 104.75 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.85 -24.92 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -61.12 -21.95 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.74 18.42 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -95.02 136.62 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -100.15 105.01 16.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.9 119.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -95.28 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.14 60.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.71 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.4 t -74.73 -42.76 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m -65.8 -21.44 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -51.48 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.31 -20.64 58.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.19 -35.12 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.533 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.96 -57.89 15.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.694 0.759 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.76 -23.94 30.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.37 -15.92 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.46 -46.89 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 m -50.85 -39.66 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -84.13 -37.84 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.64 -11.41 60.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -94.42 -12.86 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.34 23.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.44 -168.92 24.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.428 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.18 -165.35 36.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.61 34.6 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.498 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.57 163.29 21.12 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.498 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.78 -41.93 3.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.15 -36.77 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.68 -49.82 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 m -52.23 -50.96 60.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.56 82.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.61 82.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.6 t -54.51 -59.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -58.63 -22.43 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.11 -40.0 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.69 -41.83 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.74 -37.01 62.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.13 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.13 -13.44 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.66 88.19 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.33 -34.97 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -84.95 -176.38 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.13 -49.69 0.86 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.95 -52.16 8.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.16 -42.54 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -62.76 -31.7 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.01 -49.46 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.59 -58.74 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.98 -52.98 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 m -48.23 -38.35 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.35 -41.9 93.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.73 -34.68 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.65 -57.12 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -41.23 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 m -75.0 -28.59 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.3 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.17 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.89 -14.99 73.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.12 22.3 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.2 mm -89.81 108.9 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -56.57 122.34 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.13 46.24 21.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.05 139.63 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.7 103.89 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -53.41 -32.19 48.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -70.23 -43.77 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -71.66 -38.21 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.79 89.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.07 55.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.12 -28.36 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.3 tp -54.1 -57.55 17.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -43.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.06 -32.85 81.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -77.64 -34.28 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.82 1.21 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.86 73.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -145.17 83.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.39 171.57 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 160.06 43.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.47 23.7 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -136.82 163.66 30.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -83.33 163.38 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.54 121.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -177.2 174.38 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 p -80.53 -0.39 37.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.8 p -113.92 36.38 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 65.0 m -123.42 127.76 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -129.04 100.76 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.7 m -55.11 -26.52 38.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.93 18.89 12.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.8 t -144.92 120.12 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -103.88 113.13 26.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -74.89 119.1 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -95.26 -76.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.81 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.87 -32.81 55.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 -29.95 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -78.11 -46.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 m -64.77 -27.17 68.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.28 -47.42 84.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.16 -22.07 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mt -70.0 -34.42 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.516 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.15 -58.21 14.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.75 -23.69 30.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 m -83.38 -16.25 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.49 -51.04 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -51.36 -38.78 55.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -79.58 -41.03 28.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.6 -12.12 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -94.59 -12.07 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.37 0.27 23.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.71 -168.84 21.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.23 42.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.94 -169.81 39.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.09 18.24 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.345 0.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 162.98 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.84 8.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -71.04 -35.81 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.5 t -64.17 -55.05 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.09 -47.28 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.99 -50.94 36.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.64 -38.52 93.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.77 -55.75 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -59.91 -25.34 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -35.58 59.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.1 -46.31 81.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 mt -73.68 -34.19 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -24.98 58.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.21 -11.74 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 123.8 40.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -118.86 -37.55 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -87.57 -172.48 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.493 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -80.99 -51.42 0.92 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.97 -47.97 17.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -44.65 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -63.25 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -67.2 -42.87 83.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.13 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.96 -53.2 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.84 -38.39 15.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.53 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.4 m -72.54 -32.97 66.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 mt -74.82 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -41.28 55.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -75.3 -27.71 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.94 -55.9 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.13 -14.68 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -15.83 49.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 1.6 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.0 mt -84.59 107.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.9 131.67 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 54.65 45.29 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.51 139.61 19.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -103.39 101.21 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -54.2 -31.74 53.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.58 -45.87 81.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.04 -42.01 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.65 94.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.44 -22.42 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.0 -34.07 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.526 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -50.08 -57.58 12.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.72 -49.21 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.52 -27.13 58.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -76.95 -47.97 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.09 3.35 35.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.39 41.11 99.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.1 81.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.32 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.79 156.42 41.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -115.05 -176.22 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -100.34 162.07 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.6 mp -112.89 107.29 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 p -176.47 155.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.7 t -69.71 -10.56 58.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -111.55 33.32 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -117.21 143.51 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -112.48 106.81 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.37 -24.08 59.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -62.02 -22.0 65.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.83 18.34 11.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.4 t -95.03 128.87 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -99.73 107.94 20.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 mp -79.46 146.8 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -143.05 -70.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.6 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.86 -34.37 57.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.13 -24.44 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 t -76.27 -42.03 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -68.85 -25.38 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -52.13 59.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.21 -20.49 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -70.25 -35.21 73.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.529 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.99 -57.84 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.744 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.78 -23.86 30.25 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.0 m -83.39 -16.02 47.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.95 -48.11 75.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -50.88 -37.05 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -85.2 -37.17 20.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.07 -9.57 58.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -94.76 -13.75 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 10.44 20.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.26 -164.95 40.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.26 39.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.54 -165.35 34.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.67 39.97 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.348 0.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.9 162.87 26.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 52.9 Cg_endo -69.8 -41.25 4.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.282 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -65.33 -50.51 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -52.75 -50.34 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -45.7 73.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.45 87.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.9 t -54.7 -59.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -55.81 -24.7 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.72 -43.43 65.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.27 -31.78 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.6 mt -85.73 -31.21 22.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -30.72 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.98 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.79 98.71 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -99.75 -30.92 11.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 p -95.3 -172.18 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.73 -49.62 0.92 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.556 0.693 . . . . 0.0 111.169 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.2 Cg_exo -47.98 -46.03 23.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.66 -50.05 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtm-85 -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.87 -48.77 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -50.48 72.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.0 -54.47 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.16 -35.54 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.84 -56.17 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -27.77 69.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.57 -53.94 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -41.32 56.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -73.21 -32.57 64.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.91 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -22.4 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.21 -17.44 61.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 p -100.05 19.7 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.46 113.7 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.76 114.06 1.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 58.49 52.36 7.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.26 139.52 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.39 104.42 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -53.3 -36.44 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.73 -43.99 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -68.07 -40.66 82.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.54 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.4 -27.53 56.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.69 -27.54 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -56.09 -58.02 18.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -34.39 14.64 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.96 -46.8 70.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -75.63 -20.94 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.3 m -83.52 2.67 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.72 72.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.08 88.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.76 139.17 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.84 157.14 42.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.148 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.71 37.71 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -115.15 177.52 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -104.96 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.88 100.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m -173.1 -179.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 t -77.83 -3.05 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 p -121.96 45.97 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -115.94 141.89 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.53 94.3 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 64.0 m -80.23 -25.72 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.8 -21.85 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.86 -16.42 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.6 t -74.97 121.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -105.99 111.54 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.94 117.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -95.52 -75.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -42.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.42 58.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.88 -26.64 54.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.4 t -74.76 -35.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -73.92 -23.67 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -60.48 -47.35 86.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.77 -22.83 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.6 mt -69.8 -34.88 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.52 -58.37 13.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.3 Cg_endo -69.68 -23.91 30.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.49 -14.98 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.2 -47.85 75.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -50.68 -38.23 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.28 -34.61 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.88 -8.57 56.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -95.51 -13.74 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 10.2 18.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.12 -164.47 40.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.24 39.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.91 -166.35 35.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 136.49 39.07 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.339 0.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.413 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.83 164.47 16.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.22 -34.2 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.7 t -65.64 -51.84 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 m -51.7 -49.22 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.51 -45.55 83.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.54 92.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.58 -58.61 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -58.04 -23.99 56.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.14 -40.68 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.81 -40.24 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.2 -37.26 58.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -24.16 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.92 -12.94 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.59 86.75 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.75 -33.89 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 p -88.22 -173.01 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.494 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.52 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.564 0.697 . . . . 0.0 111.084 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.9 Cg_exo -48.02 -49.03 14.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 -45.79 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -50.98 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.4 -54.3 45.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.85 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.1 -38.71 18.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.15 -41.67 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.8 m -72.52 -34.34 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.1 -57.69 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -40.73 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 m -74.55 -28.76 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -54.49 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.87 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.22 -13.44 57.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -105.81 22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.01 111.19 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.25 122.9 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mttm 56.77 44.95 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.11 139.59 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.23 103.84 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 p -53.46 -34.47 58.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -69.51 -39.24 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.36 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.39 -27.33 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.46 -24.83 60.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -58.62 -57.54 25.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.68 0.753 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -37.27 9.44 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.97 83.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -76.61 -29.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.4 m -83.2 -5.41 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.0 -5.58 82.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.32 86.47 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.333 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -88.67 148.02 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -111.71 157.11 40.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 53.7 Cg_endo -69.82 -20.21 34.83 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.23 160.91 19.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.95 156.61 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.2 mm -90.12 106.14 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -164.8 160.57 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.4 t -74.49 -6.38 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 p -99.83 -24.55 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -51.99 142.96 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -115.41 103.6 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.0 -21.31 57.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -64.43 -20.65 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.91 17.73 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.86 120.47 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -104.48 115.05 29.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.78 140.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -95.72 -75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -40.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.15 -37.36 71.87 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -25.18 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.8 t -74.79 -44.71 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -64.92 -25.33 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 m -65.37 -52.57 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -20.74 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.34 -35.19 73.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.91 -57.84 15.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -24.08 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.23 -15.83 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.52 -47.61 75.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -50.25 -40.62 48.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -83.03 -38.09 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.64 -12.31 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 p -94.2 -12.47 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.46 -1.42 25.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -167.32 21.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 138.67 38.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.77 -166.5 36.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 136.61 39.76 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.295 0.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.78 164.37 16.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 0.0 110.83 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.75 -43.63 2.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -64.86 -50.94 64.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.9 m -51.85 -50.55 60.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.87 -44.14 81.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.91 -43.76 81.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.2 -60.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.11 -23.9 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.05 -43.46 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.81 -31.44 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.07 -34.98 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.92 -33.27 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.24 -1.71 53.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.7 107.53 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -115.94 -25.52 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -95.35 -173.14 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.497 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.27 0.75 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.497 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.97 -47.34 19.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.74 -46.72 81.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.96 -28.34 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.541 HE22 ' ND2' ' A' ' 89' ' ' ASN . 10.5 mm100 -68.3 -51.23 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.96 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.51 -55.08 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.02 -35.01 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.66 -61.16 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.98 -23.79 67.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.97 -62.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -38.82 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 m -75.2 -30.19 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.54 -54.35 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -24.08 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.6 -18.73 52.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -99.84 21.57 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -94.69 109.75 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -55.55 115.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttm 58.25 53.52 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.36 139.46 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -108.94 103.73 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -53.66 -35.23 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.72 -42.76 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -69.5 -41.27 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -39.43 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.33 -28.33 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.62 -25.27 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.9 tp -57.05 -57.95 21.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.5 Cg_endo -69.81 -40.93 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.628 2.218 . . . . 0.0 112.316 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.76 -37.79 95.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.88 -27.69 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.4 m -83.55 2.79 35.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.76 40.7 57.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.1 140.18 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -125.28 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.09 153.77 44.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -19.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -124.97 -176.2 3.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -104.87 173.64 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.8 115.82 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -179.43 158.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.2 t -72.2 -8.66 55.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.7 p -110.88 37.59 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -123.81 143.2 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -112.77 98.27 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.07 -14.66 62.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.541 ' ND2' HE22 ' A' ' 46' ' ' GLN . 3.1 m120 -74.84 -22.57 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.86 18.52 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.55 120.08 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -93.95 115.02 27.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -74.93 116.33 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -95.71 -75.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.8 -38.26 82.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.45 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 20.1 t -74.69 -42.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.4 m -65.42 -26.75 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.89 -51.84 65.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 1.5 m-20 -76.3 -14.48 60.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.57 -37.61 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.601 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.19 -54.15 53.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.0 Cg_endo -69.8 -27.31 26.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.358 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -82.45 -16.11 50.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -65.32 -48.03 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -50.72 -37.25 40.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.3 -36.96 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.02 -9.62 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -94.67 -13.8 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.73 6.72 26.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.91 -164.07 37.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.22 39.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.13 -165.41 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.71 45.42 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.352 0.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.6 p -63.79 162.69 26.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.84 -42.35 3.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -35.76 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.14 -50.75 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -51.83 -50.74 60.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 -45.36 78.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.62 87.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.79 -59.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -57.71 -22.92 49.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -40.48 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.26 -36.67 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.7 mt -82.63 -25.41 33.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.84 -37.08 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.22 -3.49 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.7 78.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.57 -38.08 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 p -85.33 -173.83 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.01 -49.62 0.88 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -47.89 -46.76 20.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.391 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.74 -47.94 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.76 -49.89 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.77 -57.5 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.23 -53.68 52.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 m -47.94 -40.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -63.32 -42.02 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.9 m -71.41 -37.41 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.57 -52.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -50.79 -41.93 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -71.31 -30.89 66.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.65 -57.84 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.13 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.66 -15.79 66.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.561 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -103.66 22.11 14.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.53 113.16 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.17 118.42 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttt 58.43 47.67 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.79 139.7 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.78 103.91 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 p -53.37 -34.72 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.6 -43.16 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.13 -40.57 74.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.24 79.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.52 56.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.7 -57.96 20.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -41.49 4.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.84 93.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -77.32 -28.09 53.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.24 2.4 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 40.1 46.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p -145.3 140.71 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -130.87 145.61 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.27 157.9 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.31 35.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.8 168.31 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 168.85 14.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.1 mm -110.18 94.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -166.91 -177.01 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 0.23 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -111.9 26.19 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -102.86 142.05 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.34 94.95 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -79.93 -5.55 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.2 -35.77 35.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 p -102.35 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.56 132.87 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -89.96 114.98 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.717 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.94 119.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -95.41 -75.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -41.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.46 -38.06 68.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -28.98 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.736 HG13 ' CD1' ' A' ' 35' ' ' LEU . 40.4 t -74.71 -41.31 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.698 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.7 m -67.99 -20.7 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -52.37 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.17 -20.79 59.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.759 HD21 HD23 ' A' ' 52' ' ' LEU . 32.6 mt -70.11 -35.03 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.536 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.01 -57.99 15.48 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.79 -23.8 30.26 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -83.61 -15.47 48.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.3 mt -65.12 -48.07 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.4 m -50.24 -37.8 37.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.18 -38.59 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.87 -12.17 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 p -94.27 -12.2 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.02 -1.32 24.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.533 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.53 23.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.05 39.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.41 -166.55 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.97 31.64 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.349 0.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.432 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.76 164.52 16.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.759 . . . . 0.0 110.824 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.3 Cg_endo -69.73 -42.71 3.19 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.6 -35.28 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.731 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.2 t -64.99 -50.89 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -52.6 -50.6 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.68 -46.38 66.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.44 -40.12 91.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 28' ' ' CYS . 96.3 t -55.6 -57.83 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HG3' HG11 ' A' ' 76' ' ' VAL . 19.8 mttt -57.64 -23.44 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -41.07 63.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.37 -37.91 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -79.18 -34.33 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.43 61.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -77.7 -9.64 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 82.14 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -80.39 -38.26 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.99 -173.51 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.12 -49.68 0.87 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.1 Cg_exo -47.94 -49.07 14.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.61 -45.64 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -50.51 45.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.27 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -57.69 -54.19 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.89 -38.65 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.35 -42.41 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -71.89 -32.93 67.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.759 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.51 -54.66 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.63 -42.46 56.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 m -75.13 -28.3 60.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.44 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.26 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.43 42.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -98.31 21.84 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 15' ' ' LEU . 38.9 mm -97.54 116.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 60' ' ' THR . 2.4 t -59.89 111.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt 58.74 57.89 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.18 139.56 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.03 103.98 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -53.52 -35.51 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.47 -43.53 85.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.28 -40.55 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.13 -27.16 56.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.17 -29.24 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.78 -58.07 14.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -37.31 9.33 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.03 -47.15 91.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.8 mptp? -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 m -83.64 2.2 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 27.65 73.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -145.02 85.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -89.58 148.73 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.92 156.53 41.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -124.92 167.28 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -99.58 175.81 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.66 124.83 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -179.41 159.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 p -68.51 -11.95 60.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.8 p -110.6 22.57 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.5 m -104.85 142.75 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -120.46 106.98 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.1 mp -75.04 125.37 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -95.18 -74.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.69 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.49 -34.36 68.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.18 72.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.712 HG13 ' CD1' ' A' ' 35' ' ' LEU . 21.0 t -74.94 -42.68 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 11' ' ' LEU . 33.7 m -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.17 -52.28 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.16 -20.08 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 8' ' ' THR . 18.8 mt -70.04 -35.63 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.535 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.01 -57.89 15.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.72 -23.56 30.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.9 m -83.38 -16.4 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.22 -46.53 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -50.87 -39.85 54.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -84.2 -34.19 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 18' ' ' LEU . 15.2 mt -73.14 -8.23 54.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -95.06 -14.66 24.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.47 6.19 21.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.1 -165.61 40.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.18 39.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.82 -166.09 36.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 136.93 41.38 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.313 0.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.515 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.52 163.16 21.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.8 -41.58 4.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.04 -35.44 80.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.5 t -65.5 -51.53 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -51.92 -49.04 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -45.21 85.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.49 -39.55 86.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' CYS . 74.1 t -55.78 -56.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -57.74 -24.29 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -72.95 -40.6 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.712 ' CD1' HG13 ' A' ' 7' ' ' VAL . 6.9 tt -65.3 -38.22 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.703 HD21 HG22 ' A' ' 78' ' ' ILE . 3.8 mt -73.43 -39.9 64.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -23.67 58.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -78.48 -16.65 57.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.8 112.55 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -110.16 -39.28 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -84.96 -172.66 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.39 -49.84 1.38 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.583 0.706 . . . . 0.0 111.129 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.96 -50.21 12.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.63 -43.4 93.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -64.27 -26.84 68.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.97 -51.86 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.24 -57.29 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -51.72 -55.25 20.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.92 -49.17 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -57.07 -48.18 79.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 m -64.82 -29.87 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.16 -56.98 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -50.82 -41.85 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -75.1 -27.08 59.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.03 -51.19 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.75 -17.67 43.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.8 p -92.12 1.74 57.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -84.07 115.36 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.18 122.24 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt 58.5 52.85 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.08 139.52 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -105.89 103.34 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 p -53.47 -36.88 62.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -65.38 -45.99 81.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -66.88 -39.0 87.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.01 79.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.34 56.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.23 -57.26 27.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.2 Cg_endo -69.76 -38.82 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.64 -36.76 91.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.89 -28.52 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.52 1.98 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.21 17.67 70.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 76' ' ' VAL . 6.0 p -128.19 119.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.29 153.68 17.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.703 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.58 153.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.14 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -124.78 -170.29 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -103.65 175.73 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.41 94.88 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 m -165.97 -176.68 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -80.66 0.29 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -125.67 50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.8 m -121.25 136.42 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.59 94.97 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.761 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.05 119.58 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -95.51 -74.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.97 -35.18 74.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.98 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.714 HG13 ' CD1' ' A' ' 35' ' ' LEU . 21.3 t -74.9 -39.58 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.551 ' HA ' HD12 ' A' ' 11' ' ' LEU . 25.5 m -69.66 -24.04 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.53 -52.15 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.04 -21.09 59.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 52' ' ' LEU . 17.8 mt -69.98 -34.67 73.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.539 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.23 -58.06 15.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.628 0.728 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.78 -23.57 30.55 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.38 -17.13 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.5 mt -62.71 -50.14 72.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.3 m -50.38 -34.91 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -85.24 -37.16 20.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 18' ' ' LEU . 24.1 mt -73.43 -7.12 50.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -94.6 -15.19 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.77 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.51 -164.09 39.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.13 39.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.58 -164.89 34.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.36 43.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 0.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.77 162.88 24.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.76 -41.72 4.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.2 -33.86 77.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.736 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.4 t -67.43 -50.09 60.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.37 -49.12 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.19 -45.5 92.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.05 -40.77 93.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 28' ' ' CYS . 95.0 t -55.25 -58.34 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HG3' HG11 ' A' ' 76' ' ' VAL . 8.2 mtpt -57.33 -23.6 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -73.55 -41.1 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.821 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.06 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.16 -32.52 38.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.95 -26.95 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -84.46 -2.94 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.82 87.47 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.549 ' OD1' HG23 ' A' ' 41' ' ' THR . 2.1 p30 -86.89 -39.35 15.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' OD1' ' A' ' 40' ' ' ASN . 33.0 p -86.62 -172.91 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.1 -49.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.3 Cg_exo -48.04 -43.91 29.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' HD13 ' A' ' 2' ' ' ILE . 7.9 m-20 -64.67 -42.84 95.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -64.53 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -52.36 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.821 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -51.56 -53.8 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.7 m -47.84 -42.62 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.55 -45.54 93.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.2 m -68.62 -31.93 71.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -72.33 -54.97 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -41.33 55.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -73.62 -29.03 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -55.05 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.03 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.65 -18.39 45.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -100.26 21.98 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.491 HD11 ' CD2' ' A' ' 15' ' ' LEU . 40.1 mm -96.82 118.74 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 60' ' ' THR . 2.8 t -63.36 111.5 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.84 58.09 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.11 139.49 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -108.13 103.62 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -53.49 -35.49 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.35 -43.26 86.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -68.59 -40.51 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.4 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.95 57.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.55 -24.96 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.2 tp -57.7 -57.7 23.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.8 -39.34 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.34 92.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -76.76 -29.31 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.3 m -83.58 2.13 38.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.73 76.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 76' ' ' VAL . 2.8 p -129.51 85.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -89.59 144.19 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.83 156.45 41.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -124.91 169.81 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -102.58 177.94 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.51 112.99 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.5 p -175.12 -171.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.1 p -80.73 0.13 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.7 p -124.29 30.43 6.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -93.55 141.86 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.34 94.87 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 1.003 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -82.16 147.27 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -143.08 -71.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -33.71 66.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.04 -25.23 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.676 HG13 ' CD1' ' A' ' 35' ' ' LEU . 17.5 t -75.02 -42.24 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.5 m -69.3 -23.22 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -51.52 63.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.35 -20.24 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 8' ' ' THR . 20.7 mt -70.3 -35.37 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.26 -57.71 17.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -23.95 30.37 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m -83.39 -16.06 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.4 mt -65.07 -47.8 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -50.7 -38.41 46.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.01 -34.32 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.26 -8.29 55.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.97 -14.47 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 10.59 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.12 -163.95 39.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.37 40.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.02 -166.53 35.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 137.67 45.05 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.35 0.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.427 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.08 164.22 19.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.715 0.769 . . . . 0.0 110.823 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.9 Cg_endo -69.72 -43.21 2.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.6 -34.08 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.5 t -65.91 -50.85 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.1 m -52.89 -50.42 63.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.64 -44.79 79.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.32 84.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.1 t -54.75 -58.67 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -56.2 -25.01 45.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -71.14 -42.94 68.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.824 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.25 -33.85 76.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD21 HG21 ' A' ' 78' ' ' ILE . 16.7 mt -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -36.64 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -7.5 53.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.31 -37.44 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -86.63 -172.61 4.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.96 -49.63 0.89 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.567 0.699 . . . . 0.0 111.17 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -48.0 -47.87 17.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -47.58 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -62.45 -26.24 68.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -70.07 -51.12 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.01 -50.97 67.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.003 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -60.76 -56.39 21.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.4 m -48.09 -38.43 17.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.92 -51.73 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.7 m -69.33 -24.9 63.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -75.1 -59.55 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.15 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t -75.12 -27.91 60.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' CYS . . . -69.12 -49.98 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -14.47 60.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -17.14 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 m -92.91 2.58 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.4 mt -84.0 115.01 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -74.32 125.64 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.41 47.99 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.81 139.43 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.45 103.45 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 p -53.39 -36.34 61.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -65.83 -45.12 83.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -67.3 -39.51 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.48 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.08 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.82 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.59 -57.5 26.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -37.68 8.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.54 87.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.58 -28.47 56.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.29 -5.35 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.99 -5.64 82.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 76' ' ' VAL . 2.7 p -106.63 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.331 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.98 143.98 26.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.478 HG21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.87 158.21 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 111.164 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.58 37.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -124.87 151.34 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 170.7 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -110.59 102.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 p -171.51 -172.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.1 p -80.55 -0.34 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.6 p -117.96 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -122.05 130.96 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -111.63 94.88 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.876 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.05 114.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -95.16 -75.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.01 82.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -27.38 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.741 HG13 ' CD1' ' A' ' 35' ' ' LEU . 44.6 t -74.9 -43.12 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.707 ' HA ' HD12 ' A' ' 11' ' ' LEU . 28.0 m -66.77 -21.75 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -51.74 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.16 -20.07 59.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 8' ' ' THR . 38.4 mt -70.27 -35.25 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.28 -57.7 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.5 Cg_endo -69.76 -23.94 30.25 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 m -83.56 -15.76 48.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -65.23 -47.5 76.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -50.46 -38.57 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.17 -35.89 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 18' ' ' LEU . 13.0 mt -69.19 -11.51 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.6 -12.72 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 -1.12 23.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.38 -167.53 21.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 139.33 40.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.19 -166.71 36.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 136.23 37.77 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.327 0.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.75 164.38 16.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.736 0.779 . . . . 0.0 110.804 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.4 Cg_endo -69.74 -43.59 2.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -65.51 -35.11 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.3 t -64.81 -51.47 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.0 m -52.32 -50.74 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.04 -47.03 60.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.87 93.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 28' ' ' CYS . 94.0 t -54.98 -58.48 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HG3' HG11 ' A' ' 76' ' ' VAL . 16.7 mttt -57.7 -23.7 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -40.82 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.821 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.5 tt -65.21 -38.19 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.31 -26.99 38.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.39 -35.1 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.09 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.66 81.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.8 p -85.11 -175.21 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.04 -49.61 0.88 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.1 Cg_exo -47.98 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.64 -43.3 94.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -63.53 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.84 -44.15 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.86 -53.72 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.876 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -57.64 -53.95 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.74 -37.9 14.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -65.09 -44.16 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 20.4 m -71.57 -31.54 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.687 ' CD2' HD21 ' A' ' 11' ' ' LEU . 13.0 mt -75.08 -57.47 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -42.33 54.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.51 -27.3 58.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -69.71 -46.37 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.36 -14.46 60.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.17 -18.26 41.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -91.42 1.46 57.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.422 HD12 HD13 ' A' ' 62' ' ' LEU . 41.9 mt -84.17 116.12 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.12 123.5 24.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 58.44 49.87 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.422 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.58 139.49 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.85 103.86 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 p -53.24 -35.5 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.15 -44.49 83.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.66 -39.55 84.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.46 81.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.12 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.23 -29.21 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.86 -58.02 15.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.78 -37.38 9.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.93 -47.21 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.9 mptp? -75.42 -22.31 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -83.57 1.86 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.63 74.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.9 p -145.2 84.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -89.48 145.26 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.0 156.43 41.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.627 0.727 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -15.93 37.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -114.81 166.74 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -102.21 173.37 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.16 97.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -149.88 158.68 44.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.69 -12.87 61.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.9 p -113.63 24.44 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.0 m -104.0 142.82 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -118.83 104.87 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.323 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.661 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.99 119.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -95.18 -75.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.14 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.96 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.22 -31.15 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.721 HG13 HD11 ' A' ' 35' ' ' LEU . 21.2 t -74.79 -43.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.49 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.2 m -67.79 -22.18 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.71 -53.28 42.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.16 -21.84 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.72 HD21 HD23 ' A' ' 52' ' ' LEU . 22.6 mt -69.8 -34.3 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.2 -58.33 14.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.1 Cg_endo -69.76 -23.5 30.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -83.17 -17.15 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.5 mt -62.78 -47.29 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -50.5 -38.41 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -85.07 -34.18 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.5 -8.97 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -94.88 -14.11 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.73 7.18 22.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.63 -164.84 39.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.35 40.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 -166.6 35.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 137.29 43.0 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.338 0.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.92 164.29 18.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.76 -45.87 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.84 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.5 t -65.78 -51.86 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.72 -50.42 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -46.42 71.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.549 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.78 93.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 28' ' ' CYS . 73.5 t -55.38 -58.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.175 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.38 -23.59 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -73.21 -41.37 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.721 HD11 HG13 ' A' ' 7' ' ' VAL . 7.3 tt -64.72 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 76' ' ' VAL . 9.9 mt -79.83 -25.42 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -28.54 44.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.469 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -83.71 -3.85 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.93 115.61 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -116.9 -38.95 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -86.9 -171.93 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.42 -49.73 1.16 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.159 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -47.98 -44.93 26.43 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.641 2.228 . . . . 0.0 112.376 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.81 -47.14 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -61.64 -28.52 69.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.5 -52.28 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -58.3 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -53.84 -52.46 60.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -47.94 -40.54 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.1 -48.46 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.7 -36.87 85.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.72 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -70.26 -53.05 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -50.83 -42.71 58.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -71.79 -28.93 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.6 -56.81 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.51 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.61 -18.13 50.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.427 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -100.52 21.78 12.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 15' ' ' LEU . 36.5 mm -94.4 114.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.81 112.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 58.72 55.41 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.99 139.45 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.28 104.19 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.8 p -53.36 -35.37 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.57 -42.14 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.98 -40.87 78.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.31 79.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.55 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.04 -28.15 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -54.58 -58.09 15.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.77 -37.24 9.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.319 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.69 -46.36 92.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.438 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -75.29 -22.83 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.66 2.21 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.94 41.04 88.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 36' ' ' LEU . 11.8 p -145.21 136.07 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.59 137.63 50.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.39 149.68 40.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.53 30.65 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -124.65 -169.85 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -102.81 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.99 102.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 p -176.29 178.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.8 t -80.5 -0.01 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -121.27 48.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 m -118.52 141.06 48.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -126.01 93.92 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.65 121.43 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -95.16 -75.09 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.72 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.07 -32.08 56.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.08 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.636 HG13 ' CD1' ' A' ' 35' ' ' LEU . 20.3 t -75.49 -46.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.653 ' HA ' HD12 ' A' ' 11' ' ' LEU . 38.9 m -65.03 -24.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.61 -52.69 56.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.22 -20.09 59.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 8' ' ' THR . 20.7 mt -70.18 -35.65 74.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.544 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.92 -57.87 15.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.75 -23.61 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 m -83.53 -15.82 47.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.6 mt -65.02 -47.0 79.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -50.55 -40.89 53.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -83.29 -34.85 25.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.18 -10.58 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -94.57 -13.51 25.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.4 -0.81 23.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.69 -168.12 24.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 138.85 38.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.05 -165.12 36.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.07 41.96 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.347 0.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.514 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.74 163.13 23.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.8 -41.01 4.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -66.32 -36.31 82.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.1 t -64.9 -51.52 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -51.82 -49.26 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.07 84.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -39.55 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 28' ' ' CYS . 63.9 t -55.7 -56.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -57.5 -24.74 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -72.62 -40.66 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' CD1' HG13 ' A' ' 7' ' ' VAL . 6.8 tt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.704 HD11 ' CG2' ' A' ' 78' ' ' ILE . 6.1 mt -78.41 -36.69 45.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.06 58.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.01 -5.37 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 105.95 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.483 ' OD1' HG23 ' A' ' 41' ' ' THR . 2.7 p30 -105.44 -39.89 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' OD1' ' A' ' 40' ' ' ASN . 28.9 p -86.31 -173.33 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.07 -49.65 1.02 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.4 Cg_exo -48.03 -40.32 33.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' HB3' HD13 ' A' ' 2' ' ' ILE . 9.6 m-20 -64.92 -52.33 56.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -25.66 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.24 -50.67 37.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.71 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -51.72 -54.38 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -47.71 -47.75 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -56.68 -39.91 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.9 m -75.05 -29.47 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.27 -57.37 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -50.71 -41.3 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -75.04 -27.86 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' CB ' HD13 ' A' ' 11' ' ' LEU . . . -73.3 -52.7 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.2 -14.67 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.63 -17.88 42.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 t -91.81 1.82 56.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -84.16 109.55 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 t -71.82 123.9 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.49 51.82 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.98 139.52 17.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.03 102.91 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.3 p -53.31 -33.94 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -67.97 -44.07 77.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.32 -39.72 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.24 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.54 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.74 -25.35 60.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.76 -57.27 26.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.77 -39.71 6.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.39 92.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.91 -28.81 55.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.7 m -83.46 1.9 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.05 10.38 65.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 76' ' ' VAL . 6.0 p -120.85 119.64 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -97.39 156.04 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.704 ' CG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.7 153.83 44.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 111.115 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.06 22.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -125.01 -174.52 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 177.0 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.14 95.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -161.35 -174.68 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -80.43 -0.23 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 42.51 3.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 m -109.88 119.94 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.61 94.42 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.716 0.293 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.49 119.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -95.17 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.62 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.37 -34.55 63.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.09 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.694 HG13 HD11 ' A' ' 35' ' ' LEU . 22.7 t -74.78 -45.49 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.659 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -66.9 -23.72 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -51.45 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.41 -20.71 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 8' ' ' THR . 15.7 mt -70.12 -34.97 73.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.21 -57.93 16.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.4 Cg_endo -69.77 -23.71 30.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.43 -15.95 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.13 -46.36 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -50.69 -42.48 56.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.72 -38.35 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.04 -12.98 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -94.39 -11.82 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.19 -1.85 25.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -166.5 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.09 39.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.44 -166.86 36.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.42 38.65 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.323 0.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.444 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.89 164.42 17.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.72 -45.47 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -64.14 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 t -64.76 -50.26 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -52.65 -52.42 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.43 -46.01 58.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.39 91.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 28' ' ' CYS . 98.7 t -54.96 -59.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -58.26 -22.37 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -40.06 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.773 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.66 -38.94 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.924 HD21 HG22 ' A' ' 78' ' ' ILE . 5.5 mt -76.66 -38.03 55.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -22.92 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.14 -14.09 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.529 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.76 92.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -88.53 -36.01 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 p -86.42 -173.56 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.0 -49.62 0.89 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -48.03 -50.39 11.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.62 -43.74 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -63.69 -27.42 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -71.7 -44.09 64.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.88 63.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.773 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -57.94 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.76 -40.55 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -62.24 -44.03 97.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -72.24 -30.57 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -73.18 -54.74 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -43.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -75.15 -25.83 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.84 -52.03 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.21 -14.57 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -17.08 46.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.4 p -92.57 1.44 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.502 HD12 HD13 ' A' ' 62' ' ' LEU . 38.6 mt -84.22 101.48 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 t -65.16 129.13 38.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mttp 55.06 46.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.502 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -51.18 139.38 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -107.56 103.71 13.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.5 p -53.36 -30.1 37.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.85 -48.24 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 82' ' ' ILE . . . -59.53 -37.4 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.79 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.63 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.12 -58.02 18.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.3 Cg_endo -69.78 -42.88 3.01 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.71 94.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -77.32 -27.67 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.55 2.94 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.92 40.51 43.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.21 140.48 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -117.67 147.65 42.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.924 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.87 158.97 44.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -28.55 24.94 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.594 ' CD2' HG23 ' A' ' 86' ' ' THR . 2.7 t80 -136.66 176.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -82.96 160.46 22.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.437 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 5.1 mp -97.91 101.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -166.28 -176.0 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.7 p -82.94 5.4 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.8 p -121.55 48.33 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.594 HG23 ' CD2' ' A' ' 80' ' ' TYR . 44.1 m -116.35 141.84 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -131.52 94.76 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 1.03 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.4 mp -80.26 147.05 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -143.2 -70.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.1 -35.48 77.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.14 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 35' ' ' LEU . 10.8 t -77.13 -46.89 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.1 m -68.68 -25.91 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -63.02 -51.16 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.44 -20.7 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 8' ' ' THR . 17.8 mt -70.14 -35.3 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.03 -57.98 15.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.67 0.747 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.72 -23.77 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -83.6 -15.48 48.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.0 -47.64 76.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -50.35 -38.93 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -85.06 -34.05 22.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 18' ' ' LEU . 13.9 mt -72.03 -9.38 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.78 -13.99 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.14 7.58 21.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 -165.25 40.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.33 39.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.34 -166.15 35.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 137.65 44.85 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.373 0.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.8 164.4 16.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.849 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.6 Cg_endo -69.76 -43.67 2.53 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.72 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.9 t -64.77 -53.0 53.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.5 m -51.81 -49.6 62.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -43.98 77.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.17 -41.05 81.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 28' ' ' CYS . 58.3 t -54.88 -57.03 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 111.142 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -57.69 -25.41 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -70.4 -41.2 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.587 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.6 tt -65.32 -40.05 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.836 HD21 HG22 ' A' ' 78' ' ' ILE . 2.6 mt -76.29 -34.67 59.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.27 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.07 -4.98 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 127.86 47.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -125.87 -38.9 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -91.41 -172.1 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.38 -49.8 1.16 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.525 0.679 . . . . 0.0 111.111 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 42' ' ' THR . 63.5 Cg_exo -47.86 -46.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.84 -47.08 79.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -63.47 -26.42 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -69.89 -46.2 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.26 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.03 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -59.64 -53.62 55.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.09 -39.85 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.48 -57.51 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.44 -23.62 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -75.14 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -50.72 -40.77 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 m -74.5 -28.97 61.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -70.6 -53.18 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.37 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.22 -14.81 55.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.6 p -96.04 4.92 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.418 HD12 HD13 ' A' ' 62' ' ' LEU . 45.2 mt -84.03 99.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 t -61.76 124.74 21.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt 58.42 48.82 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.418 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.93 139.44 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.7 103.62 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.7 p -53.21 -34.1 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -68.58 -45.1 72.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -69.98 -38.01 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.99 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.56 -27.49 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.75 -25.51 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.62 -57.35 25.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.672 0.749 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.41 90.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.92 -29.85 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.41 1.84 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.33 9.48 64.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG22 HD13 ' A' ' 36' ' ' LEU . 6.5 p -120.33 119.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -103.01 155.17 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.836 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.45 149.9 41.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.73 . . . . 0.0 111.149 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.74 36.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -124.82 168.88 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 82' ' ' ILE . 2.9 mttt -84.95 165.75 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.522 HD11 HG13 ' A' ' 78' ' ' ILE . 5.4 mm -115.31 94.52 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -174.75 -178.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -81.12 0.61 35.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 p -113.96 43.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -126.88 142.73 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -138.82 95.01 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.864 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.63 115.77 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -95.07 -75.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -38.91 66.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.5 62.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.74 HG13 ' CD1' ' A' ' 35' ' ' LEU . 38.2 t -77.91 -46.65 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.701 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.3 m -65.02 -23.09 67.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.57 -51.53 67.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.36 -20.46 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 52' ' ' LEU . 36.0 mt -70.28 -34.84 73.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.43 -57.82 16.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -23.91 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -83.43 -16.33 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -64.55 -47.95 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -50.36 -38.2 41.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -85.19 -34.18 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.87 -9.5 58.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -94.86 -13.87 25.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.03 12.56 13.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.66 -164.25 39.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.36 39.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.16 -166.21 35.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 137.71 45.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.333 0.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.436 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.88 164.3 17.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.846 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.2 Cg_endo -69.73 -44.42 2.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.69 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.719 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.4 t -64.65 -52.41 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.6 m -52.49 -50.97 61.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.47 -45.68 58.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.4 -41.27 85.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 28' ' ' CYS . 65.1 t -54.81 -58.38 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' HG11 ' A' ' 76' ' ' VAL . 18.2 mttt -58.26 -23.75 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -74.25 -39.69 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.878 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.5 tt -65.16 -39.67 93.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 HG21 ' A' ' 78' ' ' ILE . 31.3 mt -80.02 -25.44 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.78 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -76.81 -4.84 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.75 86.32 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -86.84 -37.43 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -87.18 -172.32 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.89 -49.58 0.9 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.137 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.1 Cg_exo -48.04 -47.55 18.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.84 -46.41 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.17 -49.51 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.39 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.878 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -58.1 -53.32 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.83 -37.71 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.72 -44.54 85.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 63.6 m -70.7 -32.91 70.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 11' ' ' LEU . 12.6 mt -74.61 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -41.2 59.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -75.19 -27.27 59.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -72.31 -52.12 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -14.48 60.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.48 -14.62 55.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -96.49 5.66 50.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.41 HD12 HD13 ' A' ' 62' ' ' LEU . 46.1 mt -83.97 110.22 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 t -67.97 127.18 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 58.32 44.57 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.51 139.38 15.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -108.95 104.22 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -53.4 -31.16 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -69.34 -45.46 69.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.67 -37.66 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 82' ' ' ILE . . . -61.34 -39.71 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.09 -26.26 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.52 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.54 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -54.03 -57.96 15.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.76 -36.78 10.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.05 90.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -75.58 -22.32 57.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -83.5 1.69 40.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.79 26.51 74.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 76' ' ' VAL . 3.0 p -145.4 83.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -89.62 143.82 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.43 HG21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.08 156.47 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -13.02 34.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -115.1 155.68 26.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -84.93 168.68 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.576 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 14.0 mm -114.18 108.5 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -179.04 166.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.7 t -76.62 -4.84 45.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.2 p -112.63 34.04 4.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.2 m -121.5 143.64 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -114.06 102.09 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.856 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.78 118.81 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -95.21 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.66 -37.16 67.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.19 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 35' ' ' LEU . 39.9 t -74.84 -47.63 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.556 ' HA ' HD12 ' A' ' 11' ' ' LEU . 4.1 m -64.64 -22.84 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -48.78 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.06 -22.23 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 8' ' ' THR . 5.4 mt -70.0 -33.68 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.526 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.88 -58.2 15.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.77 -23.55 30.63 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 m -82.98 -18.59 39.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -52.22 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.13 -32.08 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -85.18 -39.38 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.77 -8.75 56.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 -13.88 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.77 19.01 7.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.02 -167.08 35.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.79 41.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.98 -169.53 39.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 130.66 17.19 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.366 0.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.38 163.11 27.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -36.11 11.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.06 -36.09 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.709 ' O ' HG23 ' A' ' 32' ' ' VAL . 13.3 t -64.04 -55.1 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -54.92 -47.0 74.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.96 -49.08 43.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.27 -38.06 71.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 28' ' ' CYS . 92.6 t -56.75 -55.26 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.74 ' HG3' HG11 ' A' ' 76' ' ' VAL . 13.6 mttt -59.81 -22.72 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -75.16 -37.85 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.5 tt -65.76 -50.18 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.882 HD21 HG22 ' A' ' 78' ' ' ILE . 1.6 mt -67.1 -32.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -36.43 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -75.06 -11.29 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.64 82.18 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -86.65 -28.45 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.0 p -93.61 -172.41 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.529 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -81.56 -51.4 0.85 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.722 . . . . 0.0 111.12 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -47.96 -49.08 14.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB3' HD13 ' A' ' 2' ' ' ILE . 13.9 m-20 -64.84 -44.95 88.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -63.65 -26.52 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -69.98 -51.44 32.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.08 -59.24 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.856 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -51.78 -54.53 27.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -47.78 -47.52 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -56.4 -39.58 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.0 m -75.22 -30.11 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.4 -55.99 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.97 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.5 t -75.03 -25.71 58.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -74.3 -52.89 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -14.54 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.77 -16.68 47.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.7 p -92.89 0.69 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.489 HD12 HD13 ' A' ' 62' ' ' LEU . 34.2 mt -84.59 110.86 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.1 127.43 33.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm 55.17 48.74 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 59' ' ' ILE . 5.5 tp -51.65 139.61 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -104.4 101.6 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -54.15 -32.9 56.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -65.11 -47.51 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.57 -40.84 69.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.41 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 -20.48 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.98 -36.35 59.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.632 HD21 HG21 ' A' ' 32' ' ' VAL . 2.9 tp -49.24 -56.87 13.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.701 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.38 -27.03 57.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -77.28 -47.84 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.25 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.53 41.18 99.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.4 p -145.56 81.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.89 -179.75 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.882 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -113.53 158.39 38.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 111.175 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 54.1 Cg_endo -69.72 -7.85 22.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -124.94 168.15 13.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 163.35 19.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 78' ' ' ILE . 3.0 mp -105.5 94.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 p -159.94 177.77 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 p -80.62 -0.02 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -116.5 24.02 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.5 m -97.41 133.21 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -117.08 95.21 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.748 0.309 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -74.77 119.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -95.63 -75.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.45 -31.86 57.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.58 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -74.49 -38.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.9 m -70.84 -26.03 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -49.25 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.16 -15.03 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 8' ' ' THR . 9.2 mt -73.53 -37.77 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.603 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.03 -54.35 51.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.79 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.4 m -83.02 -14.85 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.04 -51.58 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.0 m -50.92 -34.21 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -85.31 -38.46 18.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.97 -10.26 59.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.74 -12.21 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.11 -0.28 22.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.39 -170.6 28.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.32 47.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -168.65 39.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.85 23.47 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 0.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -64.05 163.75 21.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.76 -37.14 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -71.5 -36.34 71.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.742 ' O ' HG23 ' A' ' 32' ' ' VAL . 10.5 t -64.08 -54.31 36.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.51 -47.95 72.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.04 -48.75 45.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.48 80.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 28' ' ' CYS . 98.9 t -57.11 -55.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.098 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG3' HG11 ' A' ' 76' ' ' VAL . 21.4 mttt -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -75.25 -39.0 60.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 52' ' ' LEU . 8.0 tt -65.44 -46.94 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.761 HD21 HG22 ' A' ' 78' ' ' ILE . 8.2 mt -68.41 -37.65 80.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.79 58.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -84.36 -15.32 46.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 98.34 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.03 -28.84 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.1 p -94.52 -173.91 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.512 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.37 -49.71 1.4 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.551 0.691 . . . . 0.0 111.177 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -48.03 -50.86 11.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.291 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.11 -45.04 90.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -62.92 -26.65 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.99 -51.51 31.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.82 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.37 -52.68 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.28 -39.07 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -65.18 -40.76 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.9 m -73.7 -33.44 64.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -75.13 -57.87 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -40.06 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 -30.04 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -55.2 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.72 55.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.3 -9.79 61.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -109.42 22.1 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mm -95.06 114.85 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 60' ' ' THR . 2.8 t -62.86 110.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mttp 58.41 55.67 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.66 139.75 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -105.6 101.72 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 p -54.24 -35.07 62.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.21 -44.22 89.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -71.16 -41.68 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.78 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.98 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.15 -36.08 58.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 32' ' ' VAL . 2.1 tp -49.52 -56.83 14.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.73 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.13 -25.68 57.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -77.36 -49.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.19 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.33 44.09 97.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.434 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.488 HG22 HD12 ' A' ' 36' ' ' LEU . 3.1 p -145.31 82.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -96.17 176.51 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -110.77 157.15 39.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.134 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -8.05 22.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -124.74 -170.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.56 169.43 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 78' ' ' ILE . 3.6 mp -119.59 94.76 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 m -172.69 176.99 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.3 p -80.2 -4.02 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -104.82 20.94 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -115.98 142.48 46.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.06 102.15 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.0 mp -74.91 124.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.14 -74.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.55 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.43 -24.43 38.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.51 -35.0 27.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 35' ' ' LEU . 16.2 t -74.95 -44.67 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.7 m -67.62 -27.86 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -48.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -23.07 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 8' ' ' THR . 9.6 mt -69.44 -31.59 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.518 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -56.76 -58.51 16.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -22.65 31.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 m -82.57 -23.69 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.4 mt -51.21 -52.62 42.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -51.22 -30.36 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -85.42 -40.63 16.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.54 -7.62 52.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -94.91 -14.26 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 18.96 8.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -167.73 35.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.79 41.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.4 -167.54 38.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 132.05 21.08 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.348 0.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.03 164.02 20.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.3 Cg_endo -69.78 -35.42 12.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -72.96 -35.3 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.72 ' O ' HG23 ' A' ' 32' ' ' VAL . 11.0 t -64.35 -53.86 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.16 -45.02 84.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.45 -50.65 40.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -37.78 89.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.5 t -56.66 -55.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.613 ' HA ' HG21 ' A' ' 76' ' ' VAL . 13.8 mttt -59.52 -22.85 62.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -38.25 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.5 tt -65.2 -51.52 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.848 HD21 HG22 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -63.73 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.03 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.17 -3.27 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.39 97.09 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -101.67 -35.56 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.85 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.545 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.68 -51.97 0.69 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 63.8 Cg_exo -47.94 -35.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' HB3' HD13 ' A' ' 2' ' ' ILE . 10.5 m-20 -64.4 -45.51 87.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -56.89 -42.95 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.2 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.46 -56.18 21.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.03 -53.55 56.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.1 -36.87 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -66.29 -52.68 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.4 m -64.59 -28.81 69.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.42 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -50.93 -40.82 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -75.21 -27.71 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.85 -51.75 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.02 -15.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.55 -8.74 63.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -110.05 21.76 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.03 117.58 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 60' ' ' THR . 3.4 t -68.47 113.38 5.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.24 53.13 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.49 139.81 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.88 103.11 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -54.31 -29.52 47.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -69.47 -43.18 73.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -73.25 -40.59 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.34 94.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.88 -22.12 56.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.32 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.647 HD21 HG21 ' A' ' 32' ' ' VAL . 2.0 tp -50.14 -57.32 13.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.79 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -27.14 59.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -77.04 -48.33 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.16 3.45 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.35 36.87 93.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.613 HG21 ' HA ' ' A' ' 33' ' ' LYS . 3.3 p -139.64 81.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.08 175.95 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.848 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.37 156.71 40.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 111.171 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.29 23.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -113.29 -169.82 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.661 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -104.87 176.7 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.931 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 81' ' ' LYS . 27.7 mm -132.25 98.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 p -175.68 -173.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 p -80.55 -0.11 36.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -126.88 48.24 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.8 m -117.91 119.96 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -115.43 96.91 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.316 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -76.2 116.08 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -93.58 -75.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -51.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.62 -42.8 78.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -22.46 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.691 ' HA ' HD12 ' A' ' 35' ' ' LEU . 60.6 t -76.62 -49.11 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . 4.8 m -65.01 -14.17 59.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -54.62 -41.38 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -29.21 53.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 8' ' ' THR . 35.7 mt -71.51 -32.2 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.524 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -51.5 -58.63 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.73 -30.96 21.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.533 ' SG ' HD13 ' A' ' 70' ' ' LEU . 1.3 m -83.2 0.93 43.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.93 -57.48 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -58.44 -19.25 34.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.26 -42.76 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.12 -8.33 56.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -94.69 -5.22 46.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.82 12.68 27.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -166.18 35.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 157.47 60.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.48 -168.82 27.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.45 79.52 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.312 0.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 163.44 40.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.53 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.29 -39.52 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.9 t -63.01 -51.95 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.8 m -48.13 -45.07 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.41 -39.96 98.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.41 -40.57 54.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 HD11 ' A' ' 70' ' ' LEU . 53.7 t -54.37 -54.85 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -54.74 -26.14 32.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -41.82 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 7' ' ' VAL . 9.2 tt -65.24 -46.64 79.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' CG2' ' A' ' 78' ' ' ILE . 10.3 mt -70.79 -24.49 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.66 -27.89 40.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -3.25 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 2' ' ' ILE . . . -124.86 117.66 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.574 ' OD1' HG23 ' A' ' 41' ' ' THR . 3.8 p30 -120.26 -33.32 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.574 HG23 ' OD1' ' A' ' 40' ' ' ASN . 26.3 p -85.97 -175.49 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.93 -49.52 0.9 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 0.0 111.117 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.8 Cg_exo -47.98 -48.38 16.5 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HB3' HD13 ' A' ' 2' ' ' ILE . 4.0 m-20 -64.99 -40.8 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -64.24 -28.47 69.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.39 -48.72 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.5 77.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -59.23 -59.17 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.8 -40.23 20.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.76 -43.56 97.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 m -75.11 -28.02 60.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 52' ' ' LEU . 17.4 mt -75.03 -60.38 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.49 -39.9 49.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -75.36 -29.88 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.47 -52.74 19.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.46 60.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.89 -24.59 66.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -94.93 21.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mm -96.4 115.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -54.95 114.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mttt 58.5 50.36 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.39 139.69 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -114.04 105.24 12.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.4 p -52.62 -33.41 46.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.82 -36.78 78.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -72.65 -44.23 62.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.41 -42.29 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.07 -28.15 60.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.68 61.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.74 HD11 HG21 ' A' ' 32' ' ' VAL . 2.2 tp -60.43 -58.68 17.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.83 -32.76 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.45 56.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.17 -28.0 57.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.83 3.84 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.79 8.36 63.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 76' ' ' VAL . 3.0 p -118.62 85.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.69 148.95 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.562 ' CG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.63 157.45 42.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.23 23.08 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -124.66 146.58 49.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -85.88 173.46 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.1 121.98 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -179.36 156.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -66.84 -13.47 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.7 p -109.13 23.06 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -106.42 142.36 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -122.84 104.75 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.792 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.9 119.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -95.28 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.14 60.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.71 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.734 HG13 ' CD1' ' A' ' 35' ' ' LEU . 55.4 t -74.73 -42.76 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.565 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.6 m -65.8 -21.44 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -51.48 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.31 -20.64 58.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.729 HD21 HD23 ' A' ' 52' ' ' LEU . 42.5 mt -70.19 -35.12 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.96 -57.89 15.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.694 0.759 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.76 -23.94 30.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.37 -15.92 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.5 mt -65.46 -46.89 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 m -50.85 -39.66 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -84.13 -37.84 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.7 mt -68.64 -11.41 60.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -94.42 -12.86 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.34 23.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.44 -168.92 24.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.428 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.18 -165.35 36.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.61 34.6 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.501 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.57 163.29 21.12 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.78 -41.93 3.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.15 -36.77 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.738 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.7 t -64.68 -49.82 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 m -52.23 -50.96 60.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.56 82.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.61 82.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 28' ' ' CYS . 58.6 t -54.51 -59.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' HG11 ' A' ' 76' ' ' VAL . 4.3 mttt -58.63 -22.43 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.11 -40.0 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.759 HD13 HD11 ' A' ' 52' ' ' LEU . 8.2 tt -65.69 -41.83 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.74 -37.01 62.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.13 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.13 -13.44 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.66 88.19 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.33 -34.97 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -84.95 -176.38 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.13 -49.69 0.86 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.95 -52.16 8.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.16 -42.54 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -62.76 -31.7 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.01 -49.46 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.59 -58.74 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.792 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.98 -52.98 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 m -48.23 -38.35 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.35 -41.9 93.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.73 -34.68 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.759 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -74.65 -57.12 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -41.23 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 m -75.0 -28.59 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.3 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.17 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.89 -14.99 73.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.12 22.3 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.2 mm -89.81 108.9 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -56.57 122.34 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.13 46.24 21.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.05 139.63 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.7 103.89 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -53.41 -32.19 48.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -70.23 -43.77 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -71.66 -38.21 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.79 89.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.07 55.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.12 -28.36 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.3 tp -54.1 -57.55 17.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -43.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.06 -32.85 81.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -77.64 -34.28 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.82 1.21 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.86 73.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 76' ' ' VAL . 3.0 p -145.17 83.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -89.39 171.57 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 160.06 43.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.47 23.7 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.436 ' CD2' HG23 ' A' ' 86' ' ' THR . 3.0 t80 -136.82 163.66 30.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -83.33 163.38 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.54 121.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -177.2 174.38 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 p -80.53 -0.39 37.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.8 p -113.92 36.38 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.436 HG23 ' CD2' ' A' ' 80' ' ' TYR . 65.0 m -123.42 127.76 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -129.04 100.76 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.7 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -74.89 119.1 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -95.26 -76.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.81 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.87 -32.81 55.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 -29.95 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.766 HG13 HD11 ' A' ' 35' ' ' LEU . 21.3 t -78.11 -46.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.562 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.7 m -64.77 -27.17 68.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.28 -47.42 84.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.16 -22.07 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 8' ' ' THR . 4.6 mt -70.0 -34.42 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.15 -58.21 14.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.75 -23.69 30.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 m -83.38 -16.25 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -63.49 -51.04 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -51.36 -38.78 55.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -79.58 -41.03 28.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.6 -12.12 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -94.59 -12.07 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.37 0.27 23.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.71 -168.84 21.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.23 42.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.94 -169.81 39.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.09 18.24 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.345 0.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 162.98 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.84 8.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -71.04 -35.81 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.5 t -64.17 -55.05 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.09 -47.28 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.99 -50.94 36.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.64 -38.52 93.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 28' ' ' CYS . 87.9 t -54.77 -55.75 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.664 ' HG3' HG11 ' A' ' 76' ' ' VAL . 20.0 mttt -59.91 -25.34 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -35.58 59.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.766 HD11 HG13 ' A' ' 7' ' ' VAL . 7.2 tt -65.1 -46.31 81.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD12 ' CG2' ' A' ' 76' ' ' VAL . 7.1 mt -73.68 -34.19 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -24.98 58.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -79.21 -11.74 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 2' ' ' ILE . . . -124.67 123.8 40.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -118.86 -37.55 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -87.57 -172.48 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.508 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -80.99 -51.42 0.92 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.97 -47.97 17.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -44.65 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -63.25 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -67.2 -42.87 83.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.13 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -56.96 -53.2 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.84 -38.39 15.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.53 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.4 m -72.54 -32.97 66.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 52' ' ' LEU . 14.5 mt -74.82 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -41.28 55.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -75.3 -27.71 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.94 -55.9 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.13 -14.68 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -15.83 49.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 1.6 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.433 HG21 HD12 ' A' ' 62' ' ' LEU . 34.0 mt -84.59 107.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.9 131.67 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 54.65 45.29 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.433 HD12 HG21 ' A' ' 59' ' ' ILE . 5.5 tp -51.51 139.61 19.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -103.39 101.21 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -54.2 -31.74 53.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.58 -45.87 81.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.04 -42.01 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.65 94.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.44 -22.42 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.0 -34.07 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -50.08 -57.58 12.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.72 -49.21 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.52 -27.13 58.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -76.95 -47.97 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.09 3.35 35.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.39 41.11 99.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.664 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.4 p -145.1 81.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.32 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -111.79 156.42 41.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 111.132 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -115.05 -176.22 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -100.34 162.07 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 78' ' ' ILE . 2.6 mp -112.89 107.29 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 p -176.47 155.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.7 t -69.71 -10.56 58.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -111.55 33.32 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -117.21 143.51 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -112.48 106.81 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 1.12 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.4 mp -79.46 146.8 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -143.05 -70.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.6 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.86 -34.37 57.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.13 -24.44 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.659 HG13 ' CD1' ' A' ' 35' ' ' LEU . 11.3 t -76.27 -42.03 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 11' ' ' LEU . 21.3 m -68.85 -25.38 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -52.13 59.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.21 -20.49 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 8' ' ' THR . 15.1 mt -70.25 -35.21 73.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.99 -57.84 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.744 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.78 -23.86 30.25 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.0 m -83.39 -16.02 47.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.95 -48.11 75.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -50.88 -37.05 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -85.2 -37.17 20.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 18' ' ' LEU . 16.1 mt -71.07 -9.57 58.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -94.76 -13.75 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 10.44 20.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.26 -164.95 40.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.26 39.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.54 -165.35 34.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.67 39.97 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.348 0.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.9 162.87 26.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 52.9 Cg_endo -69.8 -41.25 4.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.282 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.734 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -65.33 -50.51 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -52.75 -50.34 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -45.7 73.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.45 87.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.9 t -54.7 -59.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -55.81 -24.7 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.72 -43.43 65.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.27 -31.78 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 76' ' ' VAL . 18.6 mt -85.73 -31.21 22.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -30.72 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.98 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.79 98.71 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -99.75 -30.92 11.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 p -95.3 -172.18 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.73 -49.62 0.92 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.556 0.693 . . . . 0.0 111.169 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.2 Cg_exo -47.98 -46.03 23.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.66 -50.05 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtm-85 -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.87 -48.77 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -50.48 72.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.12 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -62.0 -54.47 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.16 -35.54 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.84 -56.17 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -27.77 69.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.57 -53.94 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -41.32 56.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -73.21 -32.57 64.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.91 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -22.4 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.21 -17.44 61.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 p -100.05 19.7 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.46 113.7 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.76 114.06 1.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 58.49 52.36 7.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.67 HD21 ' OG ' ' A' ' 83' ' ' SER . 5.2 tp -51.26 139.52 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.39 104.42 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -53.3 -36.44 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.73 -43.99 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -68.07 -40.66 82.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.54 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.4 -27.53 56.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -72.69 -27.54 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -56.09 -58.02 18.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -34.39 14.64 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.96 -46.8 70.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.4 mptp? -75.63 -20.94 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.3 m -83.52 2.67 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.72 72.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.603 HG21 HD12 ' A' ' 36' ' ' LEU . 2.6 p -145.08 88.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.76 139.17 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -113.84 157.14 42.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.148 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.71 37.71 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -115.15 177.52 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -104.96 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 78' ' ' ILE . 2.7 mp -126.88 100.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.67 ' OG ' HD21 ' A' ' 62' ' ' LEU . 2.4 m -173.1 -179.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 t -77.83 -3.05 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 p -121.96 45.97 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -115.94 141.89 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.53 94.3 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.853 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.94 117.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -95.52 -75.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -42.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.42 58.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.88 -26.64 54.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.736 HG13 ' CD1' ' A' ' 35' ' ' LEU . 56.4 t -74.76 -35.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.68 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.0 m -73.92 -23.67 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -60.48 -47.35 86.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.77 -22.83 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 8' ' ' THR . 25.6 mt -69.8 -34.88 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.52 -58.37 13.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.3 Cg_endo -69.68 -23.91 30.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.49 -14.98 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.2 -47.85 75.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -50.68 -38.23 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.28 -34.61 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.4 mt -72.88 -8.57 56.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -95.51 -13.74 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 10.2 18.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.12 -164.47 40.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.24 39.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.91 -166.35 35.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 136.49 39.07 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.339 0.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.428 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.83 164.47 16.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.22 -34.2 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.7 t -65.64 -51.84 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 m -51.7 -49.22 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.51 -45.55 83.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.54 92.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 28' ' ' CYS . 61.3 t -54.58 -58.61 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -58.04 -23.99 56.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.14 -40.68 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.807 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.7 tt -65.81 -40.24 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD13 ' CG2' ' A' ' 76' ' ' VAL . 2.2 mt -76.2 -37.26 58.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -24.16 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -79.92 -12.94 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.59 86.75 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.75 -33.89 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 p -88.22 -173.01 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.512 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.52 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.564 0.697 . . . . 0.0 111.084 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 66.9 Cg_exo -48.02 -49.03 14.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 -45.79 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -50.98 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.4 -54.3 45.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.853 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -57.85 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.1 -38.71 18.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.15 -41.67 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.8 m -72.52 -34.34 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.764 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -74.1 -57.69 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -40.73 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 m -74.55 -28.76 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -54.49 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.87 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.22 -13.44 57.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -105.81 22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.01 111.19 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.25 122.9 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mttm 56.77 44.95 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.11 139.59 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.23 103.84 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 p -53.46 -34.47 58.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -69.51 -39.24 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.36 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.39 -27.33 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.46 -24.83 60.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -58.62 -57.54 25.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.68 0.753 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -37.27 9.44 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.97 83.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -76.61 -29.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.4 m -83.2 -5.41 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.0 -5.58 82.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.514 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.8 p -106.32 86.47 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.333 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -88.67 148.02 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.403 ' CG2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.71 157.11 40.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.83 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.23 160.91 19.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.95 156.61 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.2 mm -90.12 106.14 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -164.8 160.57 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.4 t -74.49 -6.38 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 p -99.83 -24.55 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -51.99 142.96 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -115.41 103.6 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 39' ' ' ALA . 5.3 mp -74.78 140.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -95.72 -75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -40.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.15 -37.36 71.87 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -25.18 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 HD11 ' A' ' 11' ' ' LEU . 16.8 t -74.79 -44.71 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.507 ' HA ' HD12 ' A' ' 11' ' ' LEU . 6.3 m -64.92 -25.33 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 m -65.37 -52.57 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -20.74 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 8' ' ' THR . 18.8 mt -70.34 -35.19 73.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.91 -57.84 15.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -24.08 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.23 -15.83 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.4 mt -65.52 -47.61 75.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -50.25 -40.62 48.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -83.03 -38.09 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.3 mt -67.64 -12.31 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 p -94.2 -12.47 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.46 -1.42 25.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -167.32 21.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 138.67 38.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.77 -166.5 36.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 136.61 39.76 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.295 0.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.78 164.37 16.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 0.0 110.83 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.75 -43.63 2.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -64.86 -50.94 64.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.9 m -51.85 -50.55 60.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.87 -44.14 81.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.91 -43.76 81.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 28' ' ' CYS . 46.8 t -54.2 -60.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.11 -23.9 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.05 -43.46 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.708 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.81 -31.44 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 76' ' ' VAL . 20.8 mt -85.07 -34.98 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.92 -33.27 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.24 -1.71 53.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.721 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.7 107.53 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -115.94 -25.52 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -95.35 -173.14 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.27 0.75 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.97 -47.34 19.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' HB3' HD12 ' A' ' 2' ' ' ILE . 2.8 m-20 -64.74 -46.72 81.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.96 -28.34 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -68.3 -51.23 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.96 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.708 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -62.51 -55.08 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.02 -35.01 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.66 -61.16 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.3 m -63.98 -23.79 67.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.97 -62.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -38.82 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 m -75.2 -30.19 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' CYS . . . -69.54 -54.35 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -24.08 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.6 -18.73 52.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -99.84 21.57 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.431 HD11 ' CD2' ' A' ' 15' ' ' LEU . 37.0 mm -94.69 109.75 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -55.55 115.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttm 58.25 53.52 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.36 139.46 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -108.94 103.73 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -53.66 -35.23 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.72 -42.76 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -69.5 -41.27 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -39.43 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.33 -28.33 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.62 -25.27 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.9 tp -57.05 -57.95 21.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.5 Cg_endo -69.81 -40.93 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.628 2.218 . . . . 0.0 112.316 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.76 -37.79 95.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.88 -27.69 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.4 m -83.55 2.79 35.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.76 40.7 57.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.716 HG21 HD12 ' A' ' 36' ' ' LEU . 11.5 p -145.1 140.18 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -125.28 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.522 HG22 HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.09 153.77 44.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -19.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -124.97 -176.2 3.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -104.87 173.64 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.8 115.82 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -179.43 158.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.2 t -72.2 -8.66 55.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.7 p -110.88 37.59 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -123.81 143.2 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -112.77 98.27 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.979 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.93 116.33 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -95.71 -75.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.8 -38.26 82.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.45 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.634 HG13 ' CD1' ' A' ' 35' ' ' LEU . 20.1 t -74.69 -42.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.681 ' HA ' HD12 ' A' ' 11' ' ' LEU . 28.4 m -65.42 -26.75 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.89 -51.84 65.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 1.5 m-20 -76.3 -14.48 60.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 8' ' ' THR . 16.1 mt -73.57 -37.61 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.614 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.19 -54.15 53.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.0 Cg_endo -69.8 -27.31 26.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.358 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -82.45 -16.11 50.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.2 mt -65.32 -48.03 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -50.72 -37.25 40.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.3 -36.96 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 18' ' ' LEU . 16.8 mt -71.02 -9.62 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -94.67 -13.8 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.73 6.72 26.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.91 -164.07 37.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.22 39.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.13 -165.41 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.71 45.42 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.352 0.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.6 p -63.79 162.69 26.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.84 -42.35 3.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -35.76 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.729 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.8 t -65.14 -50.75 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -51.83 -50.74 60.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 -45.36 78.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.62 87.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 28' ' ' CYS . 65.8 t -54.79 -59.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.091 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -57.71 -22.92 49.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -40.48 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.847 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.26 -36.67 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 76' ' ' VAL . 22.7 mt -82.63 -25.41 33.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.84 -37.08 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.22 -3.49 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.7 78.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.57 -38.08 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 p -85.33 -173.83 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.01 -49.62 0.88 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -47.89 -46.76 20.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.391 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.74 -47.94 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.76 -49.89 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.77 -57.5 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.979 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.23 -53.68 52.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 m -47.94 -40.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -63.32 -42.02 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.9 m -71.41 -37.41 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.627 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -69.57 -52.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -50.79 -41.93 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -71.31 -30.89 66.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.65 -57.84 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.13 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.66 -15.79 66.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.561 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -103.66 22.11 14.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.53 113.16 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.17 118.42 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttt 58.43 47.67 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.79 139.7 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.78 103.91 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 p -53.37 -34.72 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.6 -43.16 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.13 -40.57 74.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.24 79.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.52 56.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.7 -57.96 20.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -41.49 4.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.84 93.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -77.32 -28.09 53.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.24 2.4 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 40.1 46.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.716 HG21 HD12 ' A' ' 36' ' ' LEU . 12.5 p -145.3 140.71 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -130.87 145.61 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.27 157.9 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.31 35.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.8 168.31 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 168.85 14.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.1 mm -110.18 94.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -166.91 -177.01 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 0.23 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -111.9 26.19 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -102.86 142.05 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.34 94.95 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.717 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.94 119.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -95.41 -75.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -41.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.46 -38.06 68.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -28.98 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.736 HG13 ' CD1' ' A' ' 35' ' ' LEU . 40.4 t -74.71 -41.31 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.698 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.7 m -67.99 -20.7 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -52.37 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.17 -20.79 59.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.759 HD21 HD23 ' A' ' 52' ' ' LEU . 32.6 mt -70.11 -35.03 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.536 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.01 -57.99 15.48 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.79 -23.8 30.26 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -83.61 -15.47 48.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.3 mt -65.12 -48.07 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.4 m -50.24 -37.8 37.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.18 -38.59 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.87 -12.17 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 p -94.27 -12.2 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.02 -1.32 24.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.533 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.53 23.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.05 39.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.41 -166.55 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.97 31.64 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.349 0.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.432 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.76 164.52 16.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.759 . . . . 0.0 110.824 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.3 Cg_endo -69.73 -42.71 3.19 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.6 -35.28 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.731 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.2 t -64.99 -50.89 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -52.6 -50.6 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.68 -46.38 66.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.44 -40.12 91.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 28' ' ' CYS . 96.3 t -55.6 -57.83 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HG3' HG11 ' A' ' 76' ' ' VAL . 19.8 mttt -57.64 -23.44 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -41.07 63.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.37 -37.91 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -79.18 -34.33 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.43 61.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -77.7 -9.64 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 82.14 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -80.39 -38.26 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.99 -173.51 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.12 -49.68 0.87 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.1 Cg_exo -47.94 -49.07 14.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.61 -45.64 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -50.51 45.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.27 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -57.69 -54.19 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.89 -38.65 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.35 -42.41 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -71.89 -32.93 67.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.759 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.51 -54.66 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.63 -42.46 56.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 m -75.13 -28.3 60.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.44 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.26 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.43 42.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -98.31 21.84 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 15' ' ' LEU . 38.9 mm -97.54 116.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 60' ' ' THR . 2.4 t -59.89 111.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt 58.74 57.89 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.18 139.56 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.03 103.98 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -53.52 -35.51 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.47 -43.53 85.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.28 -40.55 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.13 -27.16 56.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.17 -29.24 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.78 -58.07 14.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -37.31 9.33 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.03 -47.15 91.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.8 mptp? -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 m -83.64 2.2 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 27.65 73.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -145.02 85.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -89.58 148.73 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.92 156.53 41.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -124.92 167.28 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -99.58 175.81 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.66 124.83 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -179.41 159.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 p -68.51 -11.95 60.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.8 p -110.6 22.57 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.5 m -104.85 142.75 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -120.46 106.98 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.42 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -73.42 -22.32 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 18.73 11.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 88' ' ' CYS . 93.6 t -89.03 120.01 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -85.1 115.06 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.1 mp -75.04 125.37 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -95.18 -74.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.69 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.49 -34.36 68.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.18 72.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.712 HG13 ' CD1' ' A' ' 35' ' ' LEU . 21.0 t -74.94 -42.68 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 11' ' ' LEU . 33.7 m -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.17 -52.28 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.16 -20.08 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 8' ' ' THR . 18.8 mt -70.04 -35.63 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.535 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.01 -57.89 15.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.72 -23.56 30.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.9 m -83.38 -16.4 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.22 -46.53 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -50.87 -39.85 54.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -84.2 -34.19 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 18' ' ' LEU . 15.2 mt -73.14 -8.23 54.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -95.06 -14.66 24.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.47 6.19 21.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.1 -165.61 40.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.18 39.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.82 -166.09 36.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 136.93 41.38 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.313 0.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.515 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.52 163.16 21.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.8 -41.58 4.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.04 -35.44 80.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.5 t -65.5 -51.53 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -51.92 -49.04 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -45.21 85.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.49 -39.55 86.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' CYS . 74.1 t -55.78 -56.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -57.74 -24.29 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -72.95 -40.6 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.712 ' CD1' HG13 ' A' ' 7' ' ' VAL . 6.9 tt -65.3 -38.22 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.703 HD21 HG22 ' A' ' 78' ' ' ILE . 3.8 mt -73.43 -39.9 64.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -23.67 58.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -78.48 -16.65 57.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.8 112.55 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -110.16 -39.28 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -84.96 -172.66 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.39 -49.84 1.38 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.583 0.706 . . . . 0.0 111.129 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.96 -50.21 12.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.63 -43.4 93.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -64.27 -26.84 68.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.97 -51.86 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.24 -57.29 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -51.72 -55.25 20.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.92 -49.17 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -57.07 -48.18 79.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 m -64.82 -29.87 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.16 -56.98 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -50.82 -41.85 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -75.1 -27.08 59.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.03 -51.19 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.75 -17.67 43.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.8 p -92.12 1.74 57.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -84.07 115.36 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.18 122.24 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt 58.5 52.85 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.08 139.52 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -105.89 103.34 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 p -53.47 -36.88 62.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -65.38 -45.99 81.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -66.88 -39.0 87.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.01 79.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.34 56.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.23 -57.26 27.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.2 Cg_endo -69.76 -38.82 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.64 -36.76 91.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.89 -28.52 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.52 1.98 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.21 17.67 70.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 76' ' ' VAL . 6.0 p -128.19 119.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.29 153.68 17.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.703 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.58 153.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.14 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.734 ' CE1' HG21 ' A' ' 91' ' ' VAL . 13.1 m-85 -124.78 -170.29 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -103.65 175.73 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.41 94.88 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 m -165.97 -176.68 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -80.66 0.29 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -125.67 50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.8 m -121.25 136.42 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.59 94.97 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -80.22 -12.18 59.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -80.14 -35.41 36.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -94.9 44.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.734 HG21 ' CE1' ' A' ' 80' ' ' TYR . 89.6 t -95.03 121.91 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.22 114.97 28.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.761 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.05 119.58 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -95.51 -74.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.97 -35.18 74.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.98 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.714 HG13 ' CD1' ' A' ' 35' ' ' LEU . 21.3 t -74.9 -39.58 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.551 ' HA ' HD12 ' A' ' 11' ' ' LEU . 25.5 m -69.66 -24.04 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.53 -52.15 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.04 -21.09 59.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 52' ' ' LEU . 17.8 mt -69.98 -34.67 73.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.539 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.23 -58.06 15.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.628 0.728 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.78 -23.57 30.55 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.38 -17.13 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.5 mt -62.71 -50.14 72.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.3 m -50.38 -34.91 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -85.24 -37.16 20.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 18' ' ' LEU . 24.1 mt -73.43 -7.12 50.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -94.6 -15.19 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.77 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.51 -164.09 39.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.13 39.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.58 -164.89 34.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.36 43.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 0.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.77 162.88 24.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.76 -41.72 4.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.2 -33.86 77.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.736 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.4 t -67.43 -50.09 60.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.37 -49.12 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.19 -45.5 92.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.05 -40.77 93.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 28' ' ' CYS . 95.0 t -55.25 -58.34 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HG3' HG11 ' A' ' 76' ' ' VAL . 8.2 mtpt -57.33 -23.6 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -73.55 -41.1 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.821 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.06 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.16 -32.52 38.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.95 -26.95 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -84.46 -2.94 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.82 87.47 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.549 ' OD1' HG23 ' A' ' 41' ' ' THR . 2.1 p30 -86.89 -39.35 15.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' OD1' ' A' ' 40' ' ' ASN . 33.0 p -86.62 -172.91 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.1 -49.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.3 Cg_exo -48.04 -43.91 29.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' HD13 ' A' ' 2' ' ' ILE . 7.9 m-20 -64.67 -42.84 95.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -64.53 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -52.36 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.821 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -51.56 -53.8 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.7 m -47.84 -42.62 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.55 -45.54 93.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.2 m -68.62 -31.93 71.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -72.33 -54.97 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -41.33 55.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -73.62 -29.03 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -55.05 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.03 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.65 -18.39 45.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -100.26 21.98 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.491 HD11 ' CD2' ' A' ' 15' ' ' LEU . 40.1 mm -96.82 118.74 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 60' ' ' THR . 2.8 t -63.36 111.5 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.84 58.09 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.11 139.49 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -108.13 103.62 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -53.49 -35.49 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.35 -43.26 86.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -68.59 -40.51 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.4 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.95 57.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.55 -24.96 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.2 tp -57.7 -57.7 23.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.8 -39.34 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.34 92.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -76.76 -29.31 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.3 m -83.58 2.13 38.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.73 76.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 76' ' ' VAL . 2.8 p -129.51 85.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -89.59 144.19 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.83 156.45 41.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -124.91 169.81 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -102.58 177.94 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.51 112.99 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.5 p -175.12 -171.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.1 p -80.73 0.13 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.7 p -124.29 30.43 6.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -93.55 141.86 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.34 94.87 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.439 ' HA ' HG23 ' A' ' 91' ' ' VAL . 76.8 m -76.59 -23.63 53.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.17 -21.9 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.76 18.11 12.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 88' ' ' CYS . 98.8 t -95.04 130.73 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -97.66 102.03 13.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.003 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -82.16 147.27 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -143.08 -71.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -33.71 66.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.04 -25.23 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.676 HG13 ' CD1' ' A' ' 35' ' ' LEU . 17.5 t -75.02 -42.24 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.5 m -69.3 -23.22 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -51.52 63.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.35 -20.24 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 8' ' ' THR . 20.7 mt -70.3 -35.37 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.26 -57.71 17.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -23.95 30.37 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m -83.39 -16.06 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.4 mt -65.07 -47.8 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -50.7 -38.41 46.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.01 -34.32 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.26 -8.29 55.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.97 -14.47 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 10.59 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.12 -163.95 39.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.37 40.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.02 -166.53 35.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 137.67 45.05 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.35 0.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.427 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.08 164.22 19.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.715 0.769 . . . . 0.0 110.823 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.9 Cg_endo -69.72 -43.21 2.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.6 -34.08 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.5 t -65.91 -50.85 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.1 m -52.89 -50.42 63.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.64 -44.79 79.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.32 84.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.1 t -54.75 -58.67 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -56.2 -25.01 45.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -71.14 -42.94 68.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.824 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.25 -33.85 76.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD21 HG21 ' A' ' 78' ' ' ILE . 16.7 mt -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -36.64 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -7.5 53.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.31 -37.44 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -86.63 -172.61 4.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.96 -49.63 0.89 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.567 0.699 . . . . 0.0 111.17 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -48.0 -47.87 17.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -47.58 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -62.45 -26.24 68.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -70.07 -51.12 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.01 -50.97 67.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.003 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -60.76 -56.39 21.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.4 m -48.09 -38.43 17.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.92 -51.73 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.7 m -69.33 -24.9 63.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -75.1 -59.55 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.15 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t -75.12 -27.91 60.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' CYS . . . -69.12 -49.98 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -14.47 60.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -17.14 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 m -92.91 2.58 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.4 mt -84.0 115.01 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -74.32 125.64 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.41 47.99 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.81 139.43 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.45 103.45 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 p -53.39 -36.34 61.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -65.83 -45.12 83.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -67.3 -39.51 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.48 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.08 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.82 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.59 -57.5 26.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -37.68 8.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.54 87.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.58 -28.47 56.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.29 -5.35 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.99 -5.64 82.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 76' ' ' VAL . 2.7 p -106.63 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.331 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.98 143.98 26.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.478 HG21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.87 158.21 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 111.164 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.58 37.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE2' HG22 ' A' ' 91' ' ' VAL . 78.3 m-85 -124.87 151.34 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 170.7 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -110.59 102.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 p -171.51 -172.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.1 p -80.55 -0.34 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.6 p -117.96 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -122.05 130.96 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -111.63 94.88 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.412 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -77.73 -4.91 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.26 -22.16 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.93 18.46 14.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.77 HG22 ' CE2' ' A' ' 80' ' ' TYR . 93.3 t -76.87 128.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -93.41 107.64 19.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.876 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.05 114.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -95.16 -75.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.01 82.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -27.38 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.741 HG13 ' CD1' ' A' ' 35' ' ' LEU . 44.6 t -74.9 -43.12 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.707 ' HA ' HD12 ' A' ' 11' ' ' LEU . 28.0 m -66.77 -21.75 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -51.74 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.16 -20.07 59.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 8' ' ' THR . 38.4 mt -70.27 -35.25 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.28 -57.7 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.5 Cg_endo -69.76 -23.94 30.25 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 m -83.56 -15.76 48.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -65.23 -47.5 76.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -50.46 -38.57 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.17 -35.89 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 18' ' ' LEU . 13.0 mt -69.19 -11.51 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.6 -12.72 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 -1.12 23.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.38 -167.53 21.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 139.33 40.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.19 -166.71 36.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 136.23 37.77 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.327 0.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.75 164.38 16.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.736 0.779 . . . . 0.0 110.804 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.4 Cg_endo -69.74 -43.59 2.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -65.51 -35.11 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.3 t -64.81 -51.47 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.0 m -52.32 -50.74 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.04 -47.03 60.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.87 93.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 28' ' ' CYS . 94.0 t -54.98 -58.48 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HG3' HG11 ' A' ' 76' ' ' VAL . 16.7 mttt -57.7 -23.7 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -40.82 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.821 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.5 tt -65.21 -38.19 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.31 -26.99 38.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.39 -35.1 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.09 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.66 81.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.8 p -85.11 -175.21 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.04 -49.61 0.88 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.1 Cg_exo -47.98 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.64 -43.3 94.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -63.53 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -67.84 -44.15 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.86 -53.72 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.876 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -57.64 -53.95 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.74 -37.9 14.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -65.09 -44.16 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 20.4 m -71.57 -31.54 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.687 ' CD2' HD21 ' A' ' 11' ' ' LEU . 13.0 mt -75.08 -57.47 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -42.33 54.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.51 -27.3 58.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -69.71 -46.37 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.36 -14.46 60.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.17 -18.26 41.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -91.42 1.46 57.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.422 HD12 HD13 ' A' ' 62' ' ' LEU . 41.9 mt -84.17 116.12 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.12 123.5 24.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 58.44 49.87 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.422 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.58 139.49 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.85 103.86 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 p -53.24 -35.5 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.15 -44.49 83.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.66 -39.55 84.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.46 81.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.12 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.23 -29.21 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.86 -58.02 15.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.78 -37.38 9.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.93 -47.21 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.9 mptp? -75.42 -22.31 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -83.57 1.86 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.63 74.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.9 p -145.2 84.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -89.48 145.26 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.0 156.43 41.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.627 0.727 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -15.93 37.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -114.81 166.74 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -102.21 173.37 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.16 97.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -149.88 158.68 44.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.69 -12.87 61.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.9 p -113.63 24.44 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.0 m -104.0 142.82 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -118.83 104.87 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.413 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -73.01 -24.48 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -22.09 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.85 18.09 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 88' ' ' CYS . 95.1 t -95.08 134.5 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -91.87 113.34 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.323 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.661 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.99 119.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -95.18 -75.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.14 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.96 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.22 -31.15 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.721 HG13 HD11 ' A' ' 35' ' ' LEU . 21.2 t -74.79 -43.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.49 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.2 m -67.79 -22.18 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.71 -53.28 42.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.16 -21.84 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.72 HD21 HD23 ' A' ' 52' ' ' LEU . 22.6 mt -69.8 -34.3 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.2 -58.33 14.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.1 Cg_endo -69.76 -23.5 30.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -83.17 -17.15 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.5 mt -62.78 -47.29 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -50.5 -38.41 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -85.07 -34.18 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.5 -8.97 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -94.88 -14.11 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.73 7.18 22.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.63 -164.84 39.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.35 40.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 -166.6 35.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 137.29 43.0 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.338 0.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.92 164.29 18.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.76 -45.87 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.84 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.5 t -65.78 -51.86 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.72 -50.42 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -46.42 71.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.549 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.78 93.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 28' ' ' CYS . 73.5 t -55.38 -58.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.175 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.38 -23.59 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -73.21 -41.37 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.721 HD11 HG13 ' A' ' 7' ' ' VAL . 7.3 tt -64.72 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 76' ' ' VAL . 9.9 mt -79.83 -25.42 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -28.54 44.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.469 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -83.71 -3.85 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.93 115.61 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -116.9 -38.95 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -86.9 -171.93 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.42 -49.73 1.16 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.159 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -47.98 -44.93 26.43 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.641 2.228 . . . . 0.0 112.376 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.81 -47.14 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -61.64 -28.52 69.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.5 -52.28 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -58.3 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -53.84 -52.46 60.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -47.94 -40.54 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.1 -48.46 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.7 -36.87 85.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.72 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -70.26 -53.05 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -50.83 -42.71 58.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -71.79 -28.93 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.6 -56.81 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.51 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.61 -18.13 50.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.427 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -100.52 21.78 12.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 15' ' ' LEU . 36.5 mm -94.4 114.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.81 112.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 58.72 55.41 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.99 139.45 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.28 104.19 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.8 p -53.36 -35.37 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.57 -42.14 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.98 -40.87 78.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.31 79.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.55 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.04 -28.15 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -54.58 -58.09 15.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.77 -37.24 9.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.319 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.69 -46.36 92.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.438 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -75.29 -22.83 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.66 2.21 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.94 41.04 88.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 36' ' ' LEU . 11.8 p -145.21 136.07 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.59 137.63 50.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.39 149.68 40.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.53 30.65 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.633 ' CE1' HG21 ' A' ' 91' ' ' VAL . 3.6 m-85 -124.65 -169.85 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -102.81 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.99 102.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 p -176.29 178.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.8 t -80.5 -0.01 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -121.27 48.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 m -118.52 141.06 48.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -126.01 93.92 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.71 -11.69 59.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.13 -36.89 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 p -113.8 54.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 80' ' ' TYR . 95.0 t -74.72 130.19 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -93.87 96.85 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.65 121.43 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -95.16 -75.09 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.72 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.07 -32.08 56.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.08 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.636 HG13 ' CD1' ' A' ' 35' ' ' LEU . 20.3 t -75.49 -46.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.653 ' HA ' HD12 ' A' ' 11' ' ' LEU . 38.9 m -65.03 -24.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.61 -52.69 56.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.22 -20.09 59.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 8' ' ' THR . 20.7 mt -70.18 -35.65 74.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.544 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.92 -57.87 15.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.75 -23.61 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 m -83.53 -15.82 47.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.6 mt -65.02 -47.0 79.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -50.55 -40.89 53.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -83.29 -34.85 25.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.18 -10.58 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -94.57 -13.51 25.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.4 -0.81 23.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.69 -168.12 24.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 138.85 38.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.05 -165.12 36.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.07 41.96 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.347 0.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.514 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.74 163.13 23.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.8 -41.01 4.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -66.32 -36.31 82.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.1 t -64.9 -51.52 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -51.82 -49.26 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.07 84.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -39.55 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 28' ' ' CYS . 63.9 t -55.7 -56.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -57.5 -24.74 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -72.62 -40.66 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' CD1' HG13 ' A' ' 7' ' ' VAL . 6.8 tt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.704 HD11 ' CG2' ' A' ' 78' ' ' ILE . 6.1 mt -78.41 -36.69 45.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.06 58.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.01 -5.37 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 105.95 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.483 ' OD1' HG23 ' A' ' 41' ' ' THR . 2.7 p30 -105.44 -39.89 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' OD1' ' A' ' 40' ' ' ASN . 28.9 p -86.31 -173.33 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.07 -49.65 1.02 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.4 Cg_exo -48.03 -40.32 33.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' HB3' HD13 ' A' ' 2' ' ' ILE . 9.6 m-20 -64.92 -52.33 56.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -25.66 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.24 -50.67 37.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.71 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -51.72 -54.38 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -47.71 -47.75 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -56.68 -39.91 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.9 m -75.05 -29.47 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.27 -57.37 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -50.71 -41.3 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -75.04 -27.86 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' CB ' HD13 ' A' ' 11' ' ' LEU . . . -73.3 -52.7 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.2 -14.67 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.63 -17.88 42.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 t -91.81 1.82 56.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -84.16 109.55 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 t -71.82 123.9 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.49 51.82 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.98 139.52 17.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.03 102.91 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.3 p -53.31 -33.94 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -67.97 -44.07 77.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.32 -39.72 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.24 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.54 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.74 -25.35 60.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.76 -57.27 26.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.77 -39.71 6.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.39 92.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.91 -28.81 55.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.7 m -83.46 1.9 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.05 10.38 65.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 76' ' ' VAL . 6.0 p -120.85 119.64 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -97.39 156.04 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.704 ' CG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.7 153.83 44.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 111.115 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.06 22.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.678 ' CE1' HG21 ' A' ' 91' ' ' VAL . 10.2 m-85 -125.01 -174.52 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 177.0 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.14 95.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -161.35 -174.68 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -80.43 -0.23 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 42.51 3.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 m -109.88 119.94 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.61 94.42 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.722 ' O ' HG23 ' A' ' 91' ' ' VAL . 63.0 m -80.89 -42.98 20.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -53.85 -32.69 53.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -128.87 65.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 88' ' ' CYS . 99.1 t -73.86 120.15 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -86.97 111.61 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.716 0.293 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.49 119.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -95.17 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.62 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.37 -34.55 63.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.09 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.694 HG13 HD11 ' A' ' 35' ' ' LEU . 22.7 t -74.78 -45.49 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.659 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -66.9 -23.72 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -51.45 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.41 -20.71 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 8' ' ' THR . 15.7 mt -70.12 -34.97 73.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.21 -57.93 16.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.4 Cg_endo -69.77 -23.71 30.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.43 -15.95 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.13 -46.36 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -50.69 -42.48 56.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.72 -38.35 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.04 -12.98 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -94.39 -11.82 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.19 -1.85 25.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -166.5 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.09 39.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.44 -166.86 36.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.42 38.65 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.323 0.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.444 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.89 164.42 17.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.72 -45.47 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -64.14 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 t -64.76 -50.26 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -52.65 -52.42 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.43 -46.01 58.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.39 91.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 28' ' ' CYS . 98.7 t -54.96 -59.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -58.26 -22.37 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -40.06 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.773 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.66 -38.94 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.924 HD21 HG22 ' A' ' 78' ' ' ILE . 5.5 mt -76.66 -38.03 55.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -22.92 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.14 -14.09 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.76 92.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -88.53 -36.01 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 p -86.42 -173.56 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.0 -49.62 0.89 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -48.03 -50.39 11.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.62 -43.74 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -63.69 -27.42 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -71.7 -44.09 64.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.88 63.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.773 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -57.94 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.76 -40.55 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -62.24 -44.03 97.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -72.24 -30.57 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -73.18 -54.74 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -43.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -75.15 -25.83 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.84 -52.03 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.21 -14.57 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -17.08 46.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.4 p -92.57 1.44 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.502 HD12 HD13 ' A' ' 62' ' ' LEU . 38.6 mt -84.22 101.48 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 t -65.16 129.13 38.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mttp 55.06 46.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.502 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -51.18 139.38 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -107.56 103.71 13.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.5 p -53.36 -30.1 37.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.85 -48.24 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 82' ' ' ILE . . . -59.53 -37.4 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.79 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.63 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.12 -58.02 18.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.3 Cg_endo -69.78 -42.88 3.01 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.71 94.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -77.32 -27.67 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.55 2.94 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.92 40.51 43.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.21 140.48 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -117.67 147.65 42.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.924 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.87 158.97 44.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -28.55 24.94 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.594 ' CD2' HG23 ' A' ' 86' ' ' THR . 2.7 t80 -136.66 176.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -82.96 160.46 22.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.437 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 5.1 mp -97.91 101.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -166.28 -176.0 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.7 p -82.94 5.4 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.8 p -121.55 48.33 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.594 HG23 ' CD2' ' A' ' 80' ' ' TYR . 44.1 m -116.35 141.84 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -131.52 94.76 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.71 ' O ' HG23 ' A' ' 91' ' ' VAL . 69.2 m -80.4 -44.54 19.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -53.03 -31.88 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -130.31 66.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 88' ' ' CYS . 69.6 t -73.7 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 110.0 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.03 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.4 mp -80.26 147.05 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -143.2 -70.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.1 -35.48 77.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.14 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 35' ' ' LEU . 10.8 t -77.13 -46.89 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.1 m -68.68 -25.91 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -63.02 -51.16 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.44 -20.7 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 8' ' ' THR . 17.8 mt -70.14 -35.3 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.03 -57.98 15.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.67 0.747 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.72 -23.77 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -83.6 -15.48 48.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.0 -47.64 76.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -50.35 -38.93 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -85.06 -34.05 22.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 18' ' ' LEU . 13.9 mt -72.03 -9.38 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.78 -13.99 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.14 7.58 21.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 -165.25 40.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.33 39.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.34 -166.15 35.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 137.65 44.85 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.373 0.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.8 164.4 16.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.849 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.6 Cg_endo -69.76 -43.67 2.53 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.72 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.9 t -64.77 -53.0 53.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.5 m -51.81 -49.6 62.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -43.98 77.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.17 -41.05 81.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 28' ' ' CYS . 58.3 t -54.88 -57.03 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 111.142 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -57.69 -25.41 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -70.4 -41.2 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.587 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.6 tt -65.32 -40.05 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.836 HD21 HG22 ' A' ' 78' ' ' ILE . 2.6 mt -76.29 -34.67 59.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.27 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.07 -4.98 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 127.86 47.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -125.87 -38.9 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -91.41 -172.1 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.38 -49.8 1.16 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.525 0.679 . . . . 0.0 111.111 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 42' ' ' THR . 63.5 Cg_exo -47.86 -46.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.84 -47.08 79.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -63.47 -26.42 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -69.89 -46.2 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.26 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.03 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -59.64 -53.62 55.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.09 -39.85 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.48 -57.51 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.44 -23.62 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -75.14 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -50.72 -40.77 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 m -74.5 -28.97 61.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -70.6 -53.18 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.37 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.22 -14.81 55.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.6 p -96.04 4.92 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.418 HD12 HD13 ' A' ' 62' ' ' LEU . 45.2 mt -84.03 99.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 t -61.76 124.74 21.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt 58.42 48.82 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.418 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.93 139.44 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.7 103.62 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.7 p -53.21 -34.1 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -68.58 -45.1 72.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -69.98 -38.01 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.99 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.56 -27.49 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.75 -25.51 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.62 -57.35 25.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.672 0.749 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.41 90.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.92 -29.85 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.41 1.84 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.33 9.48 64.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG22 HD13 ' A' ' 36' ' ' LEU . 6.5 p -120.33 119.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -103.01 155.17 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.836 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.45 149.9 41.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.73 . . . . 0.0 111.149 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.74 36.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -124.82 168.88 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 82' ' ' ILE . 2.9 mttt -84.95 165.75 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.522 HD11 HG13 ' A' ' 78' ' ' ILE . 5.4 mm -115.31 94.52 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -174.75 -178.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -81.12 0.61 35.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 p -113.96 43.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -126.88 142.73 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -138.82 95.01 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.9 m -80.03 -20.76 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -70.22 -19.09 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.69 -20.5 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.0 t -94.39 128.35 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -112.43 112.18 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.864 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.63 115.77 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -95.07 -75.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -38.91 66.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.5 62.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.74 HG13 ' CD1' ' A' ' 35' ' ' LEU . 38.2 t -77.91 -46.65 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.701 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.3 m -65.02 -23.09 67.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.57 -51.53 67.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.36 -20.46 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 52' ' ' LEU . 36.0 mt -70.28 -34.84 73.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.43 -57.82 16.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -23.91 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -83.43 -16.33 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -64.55 -47.95 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -50.36 -38.2 41.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -85.19 -34.18 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.87 -9.5 58.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -94.86 -13.87 25.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.03 12.56 13.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.66 -164.25 39.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.36 39.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.16 -166.21 35.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 137.71 45.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.333 0.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.436 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.88 164.3 17.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.846 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.2 Cg_endo -69.73 -44.42 2.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.69 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.719 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.4 t -64.65 -52.41 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.6 m -52.49 -50.97 61.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.47 -45.68 58.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.4 -41.27 85.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 28' ' ' CYS . 65.1 t -54.81 -58.38 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' HG11 ' A' ' 76' ' ' VAL . 18.2 mttt -58.26 -23.75 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -74.25 -39.69 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.878 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.5 tt -65.16 -39.67 93.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 HG21 ' A' ' 78' ' ' ILE . 31.3 mt -80.02 -25.44 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.78 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -76.81 -4.84 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.75 86.32 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -86.84 -37.43 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -87.18 -172.32 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.89 -49.58 0.9 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.137 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.1 Cg_exo -48.04 -47.55 18.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.84 -46.41 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.17 -49.51 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.39 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.878 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -58.1 -53.32 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.83 -37.71 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.72 -44.54 85.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 63.6 m -70.7 -32.91 70.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 11' ' ' LEU . 12.6 mt -74.61 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -41.2 59.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -75.19 -27.27 59.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -72.31 -52.12 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -14.48 60.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.48 -14.62 55.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -96.49 5.66 50.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.41 HD12 HD13 ' A' ' 62' ' ' LEU . 46.1 mt -83.97 110.22 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 t -67.97 127.18 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 58.32 44.57 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.51 139.38 15.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -108.95 104.22 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -53.4 -31.16 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -69.34 -45.46 69.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.67 -37.66 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 82' ' ' ILE . . . -61.34 -39.71 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.09 -26.26 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.52 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.54 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -54.03 -57.96 15.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.76 -36.78 10.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.05 90.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -75.58 -22.32 57.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -83.5 1.69 40.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.79 26.51 74.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 76' ' ' VAL . 3.0 p -145.4 83.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -89.62 143.82 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.43 HG21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.08 156.47 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -13.02 34.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -115.1 155.68 26.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -84.93 168.68 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.576 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 14.0 mm -114.18 108.5 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -179.04 166.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.7 t -76.62 -4.84 45.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.2 p -112.63 34.04 4.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.2 m -121.5 143.64 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -114.06 102.09 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.416 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -67.99 -12.92 61.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -75.12 -29.68 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 p -94.85 36.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 88' ' ' CYS . 90.5 t -95.08 119.95 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -103.71 115.01 29.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.856 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.78 118.81 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -95.21 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.66 -37.16 67.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.19 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 35' ' ' LEU . 39.9 t -74.84 -47.63 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.556 ' HA ' HD12 ' A' ' 11' ' ' LEU . 4.1 m -64.64 -22.84 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -48.78 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.06 -22.23 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 8' ' ' THR . 5.4 mt -70.0 -33.68 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.526 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.88 -58.2 15.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.77 -23.55 30.63 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 m -82.98 -18.59 39.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -52.22 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.13 -32.08 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -85.18 -39.38 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.77 -8.75 56.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 -13.88 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.77 19.01 7.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.02 -167.08 35.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.79 41.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.98 -169.53 39.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 130.66 17.19 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.366 0.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.38 163.11 27.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -36.11 11.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.06 -36.09 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.709 ' O ' HG23 ' A' ' 32' ' ' VAL . 13.3 t -64.04 -55.1 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -54.92 -47.0 74.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.96 -49.08 43.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.27 -38.06 71.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 28' ' ' CYS . 92.6 t -56.75 -55.26 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.74 ' HG3' HG11 ' A' ' 76' ' ' VAL . 13.6 mttt -59.81 -22.72 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -75.16 -37.85 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.5 tt -65.76 -50.18 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.882 HD21 HG22 ' A' ' 78' ' ' ILE . 1.6 mt -67.1 -32.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -36.43 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -75.06 -11.29 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.64 82.18 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -86.65 -28.45 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.0 p -93.61 -172.41 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.529 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -81.56 -51.4 0.85 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.722 . . . . 0.0 111.12 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -47.96 -49.08 14.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB3' HD13 ' A' ' 2' ' ' ILE . 13.9 m-20 -64.84 -44.95 88.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -63.65 -26.52 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -69.98 -51.44 32.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.08 -59.24 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.856 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -51.78 -54.53 27.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -47.78 -47.52 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -56.4 -39.58 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.0 m -75.22 -30.11 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.4 -55.99 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.97 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.5 t -75.03 -25.71 58.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -74.3 -52.89 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -14.54 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.77 -16.68 47.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.7 p -92.89 0.69 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.489 HD12 HD13 ' A' ' 62' ' ' LEU . 34.2 mt -84.59 110.86 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.1 127.43 33.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm 55.17 48.74 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 59' ' ' ILE . 5.5 tp -51.65 139.61 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -104.4 101.6 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -54.15 -32.9 56.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -65.11 -47.51 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.57 -40.84 69.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.41 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 -20.48 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.98 -36.35 59.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.632 HD21 HG21 ' A' ' 32' ' ' VAL . 2.9 tp -49.24 -56.87 13.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.701 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.38 -27.03 57.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -77.28 -47.84 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.25 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.53 41.18 99.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.4 p -145.56 81.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.89 -179.75 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.882 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -113.53 158.39 38.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 111.175 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 54.1 Cg_endo -69.72 -7.85 22.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.784 ' CE1' HG22 ' A' ' 91' ' ' VAL . 7.3 m-85 -124.94 168.15 13.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 163.35 19.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 78' ' ' ILE . 3.0 mp -105.5 94.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 p -159.94 177.77 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 p -80.62 -0.02 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -116.5 24.02 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.5 m -97.41 133.21 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -117.08 95.21 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.445 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.3 m -77.13 -4.93 46.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.14 -19.95 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.3 18.57 17.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.784 HG22 ' CE1' ' A' ' 80' ' ' TYR . 97.4 t -78.33 121.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.83 114.28 28.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.748 0.309 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -74.77 119.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -95.63 -75.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.45 -31.86 57.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.58 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -74.49 -38.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.9 m -70.84 -26.03 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -49.25 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.16 -15.03 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 8' ' ' THR . 9.2 mt -73.53 -37.77 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.603 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.03 -54.35 51.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.79 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.4 m -83.02 -14.85 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.04 -51.58 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.0 m -50.92 -34.21 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -85.31 -38.46 18.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.97 -10.26 59.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.74 -12.21 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.11 -0.28 22.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.39 -170.6 28.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.32 47.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -168.65 39.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.85 23.47 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 0.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -64.05 163.75 21.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.76 -37.14 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -71.5 -36.34 71.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.742 ' O ' HG23 ' A' ' 32' ' ' VAL . 10.5 t -64.08 -54.31 36.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.51 -47.95 72.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.04 -48.75 45.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.48 80.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 28' ' ' CYS . 98.9 t -57.11 -55.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.098 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG3' HG11 ' A' ' 76' ' ' VAL . 21.4 mttt -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -75.25 -39.0 60.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 52' ' ' LEU . 8.0 tt -65.44 -46.94 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.761 HD21 HG22 ' A' ' 78' ' ' ILE . 8.2 mt -68.41 -37.65 80.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.79 58.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -84.36 -15.32 46.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 98.34 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.03 -28.84 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.1 p -94.52 -173.91 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.512 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.37 -49.71 1.4 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.551 0.691 . . . . 0.0 111.177 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -48.03 -50.86 11.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.291 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.11 -45.04 90.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -62.92 -26.65 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.99 -51.51 31.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.82 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.37 -52.68 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.28 -39.07 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -65.18 -40.76 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.9 m -73.7 -33.44 64.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -75.13 -57.87 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -40.06 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 -30.04 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -55.2 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.72 55.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.3 -9.79 61.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -109.42 22.1 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mm -95.06 114.85 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 60' ' ' THR . 2.8 t -62.86 110.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mttp 58.41 55.67 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.66 139.75 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -105.6 101.72 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 p -54.24 -35.07 62.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.21 -44.22 89.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -71.16 -41.68 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.78 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.98 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.15 -36.08 58.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 32' ' ' VAL . 2.1 tp -49.52 -56.83 14.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.73 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.13 -25.68 57.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -77.36 -49.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.19 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.33 44.09 97.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.434 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.488 HG22 HD12 ' A' ' 36' ' ' LEU . 3.1 p -145.31 82.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -96.17 176.51 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -110.77 157.15 39.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.134 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -8.05 22.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -124.74 -170.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.56 169.43 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 78' ' ' ILE . 3.6 mp -119.59 94.76 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 m -172.69 176.99 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.3 p -80.2 -4.02 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -104.82 20.94 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -115.98 142.48 46.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.06 102.15 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.55 ' O ' HG23 ' A' ' 91' ' ' VAL . 86.1 m -74.77 -15.62 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -80.08 -38.44 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.2 p -103.91 48.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 88' ' ' CYS . 92.1 t -74.9 129.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -98.12 90.94 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.0 mp -74.91 124.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.14 -74.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.55 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.43 -24.43 38.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.51 -35.0 27.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 35' ' ' LEU . 16.2 t -74.95 -44.67 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.7 m -67.62 -27.86 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -48.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -23.07 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 8' ' ' THR . 9.6 mt -69.44 -31.59 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.518 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -56.76 -58.51 16.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -22.65 31.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 m -82.57 -23.69 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.4 mt -51.21 -52.62 42.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -51.22 -30.36 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -85.42 -40.63 16.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.54 -7.62 52.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -94.91 -14.26 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 18.96 8.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -167.73 35.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.79 41.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.4 -167.54 38.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 132.05 21.08 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.348 0.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.03 164.02 20.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.3 Cg_endo -69.78 -35.42 12.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -72.96 -35.3 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.72 ' O ' HG23 ' A' ' 32' ' ' VAL . 11.0 t -64.35 -53.86 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.16 -45.02 84.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.45 -50.65 40.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -37.78 89.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.5 t -56.66 -55.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.613 ' HA ' HG21 ' A' ' 76' ' ' VAL . 13.8 mttt -59.52 -22.85 62.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -38.25 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.5 tt -65.2 -51.52 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.848 HD21 HG22 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -63.73 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.03 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.17 -3.27 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.39 97.09 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -101.67 -35.56 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.85 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.545 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.68 -51.97 0.69 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 63.8 Cg_exo -47.94 -35.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' HB3' HD13 ' A' ' 2' ' ' ILE . 10.5 m-20 -64.4 -45.51 87.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -56.89 -42.95 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.2 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.46 -56.18 21.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.03 -53.55 56.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.1 -36.87 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -66.29 -52.68 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.4 m -64.59 -28.81 69.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.42 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -50.93 -40.82 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -75.21 -27.71 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.85 -51.75 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.02 -15.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.55 -8.74 63.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -110.05 21.76 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.03 117.58 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 60' ' ' THR . 3.4 t -68.47 113.38 5.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.24 53.13 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.49 139.81 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.88 103.11 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -54.31 -29.52 47.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -69.47 -43.18 73.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -73.25 -40.59 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.34 94.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.88 -22.12 56.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.32 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.647 HD21 HG21 ' A' ' 32' ' ' VAL . 2.0 tp -50.14 -57.32 13.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.79 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -27.14 59.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -77.04 -48.33 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.16 3.45 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.35 36.87 93.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.613 HG21 ' HA ' ' A' ' 33' ' ' LYS . 3.3 p -139.64 81.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.08 175.95 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.848 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.37 156.71 40.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 111.171 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.29 23.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.724 ' CE1' HG21 ' A' ' 91' ' ' VAL . 10.1 m-85 -113.29 -169.82 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.661 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -104.87 176.7 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.931 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 81' ' ' LYS . 27.7 mm -132.25 98.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 p -175.68 -173.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 p -80.55 -0.11 36.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -126.88 48.24 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.8 m -117.91 119.96 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -115.43 96.91 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.45 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.9 m -78.2 -12.29 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.03 -37.17 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.3 p -94.87 44.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 80' ' ' TYR . 85.5 t -88.88 128.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -88.66 104.82 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.316 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -76.2 116.08 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -93.58 -75.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -51.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.62 -42.8 78.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -22.46 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.691 ' HA ' HD12 ' A' ' 35' ' ' LEU . 60.6 t -76.62 -49.11 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . 4.8 m -65.01 -14.17 59.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -54.62 -41.38 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -29.21 53.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 8' ' ' THR . 35.7 mt -71.51 -32.2 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.524 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -51.5 -58.63 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.73 -30.96 21.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.533 ' SG ' HD13 ' A' ' 70' ' ' LEU . 1.3 m -83.2 0.93 43.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.93 -57.48 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -58.44 -19.25 34.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.26 -42.76 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.12 -8.33 56.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -94.69 -5.22 46.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.82 12.68 27.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -166.18 35.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 157.47 60.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.48 -168.82 27.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.45 79.52 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.312 0.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 163.44 40.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.53 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.29 -39.52 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.9 t -63.01 -51.95 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.8 m -48.13 -45.07 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.41 -39.96 98.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.41 -40.57 54.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 HD11 ' A' ' 70' ' ' LEU . 53.7 t -54.37 -54.85 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -54.74 -26.14 32.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -41.82 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 7' ' ' VAL . 9.2 tt -65.24 -46.64 79.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' CG2' ' A' ' 78' ' ' ILE . 10.3 mt -70.79 -24.49 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.66 -27.89 40.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -3.25 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 2' ' ' ILE . . . -124.86 117.66 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.574 ' OD1' HG23 ' A' ' 41' ' ' THR . 3.8 p30 -120.26 -33.32 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.574 HG23 ' OD1' ' A' ' 40' ' ' ASN . 26.3 p -85.97 -175.49 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.93 -49.52 0.9 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 0.0 111.117 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.8 Cg_exo -47.98 -48.38 16.5 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HB3' HD13 ' A' ' 2' ' ' ILE . 4.0 m-20 -64.99 -40.8 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -64.24 -28.47 69.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.39 -48.72 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.5 77.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -59.23 -59.17 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.8 -40.23 20.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.76 -43.56 97.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 m -75.11 -28.02 60.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 52' ' ' LEU . 17.4 mt -75.03 -60.38 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.49 -39.9 49.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -75.36 -29.88 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.47 -52.74 19.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.46 60.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.89 -24.59 66.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -94.93 21.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mm -96.4 115.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -54.95 114.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mttt 58.5 50.36 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.39 139.69 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -114.04 105.24 12.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.4 p -52.62 -33.41 46.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.82 -36.78 78.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -72.65 -44.23 62.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.41 -42.29 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.07 -28.15 60.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.68 61.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.74 HD11 HG21 ' A' ' 32' ' ' VAL . 2.2 tp -60.43 -58.68 17.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.83 -32.76 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.45 56.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.17 -28.0 57.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.83 3.84 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.79 8.36 63.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 76' ' ' VAL . 3.0 p -118.62 85.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.69 148.95 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.562 ' CG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.63 157.45 42.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.23 23.08 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -124.66 146.58 49.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -85.88 173.46 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.1 121.98 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -179.36 156.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -66.84 -13.47 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.7 p -109.13 23.06 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -106.42 142.36 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -122.84 104.75 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.424 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -74.85 -24.92 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -61.12 -21.95 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.74 18.42 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' HA ' ' A' ' 88' ' ' CYS . 96.9 t -95.02 136.62 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -100.15 105.01 16.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.792 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.9 119.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -95.28 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.14 60.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.71 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.734 HG13 ' CD1' ' A' ' 35' ' ' LEU . 55.4 t -74.73 -42.76 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.565 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.6 m -65.8 -21.44 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -51.48 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.31 -20.64 58.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.729 HD21 HD23 ' A' ' 52' ' ' LEU . 42.5 mt -70.19 -35.12 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.96 -57.89 15.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.694 0.759 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.76 -23.94 30.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.37 -15.92 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.5 mt -65.46 -46.89 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 m -50.85 -39.66 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -84.13 -37.84 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.7 mt -68.64 -11.41 60.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -94.42 -12.86 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.34 23.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.44 -168.92 24.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.428 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.18 -165.35 36.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.61 34.6 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.501 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.57 163.29 21.12 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.78 -41.93 3.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.15 -36.77 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.738 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.7 t -64.68 -49.82 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 m -52.23 -50.96 60.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.56 82.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.61 82.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 28' ' ' CYS . 58.6 t -54.51 -59.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' HG11 ' A' ' 76' ' ' VAL . 4.3 mttt -58.63 -22.43 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.11 -40.0 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.759 HD13 HD11 ' A' ' 52' ' ' LEU . 8.2 tt -65.69 -41.83 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.74 -37.01 62.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.13 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.13 -13.44 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.66 88.19 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.33 -34.97 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -84.95 -176.38 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.13 -49.69 0.86 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.95 -52.16 8.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.16 -42.54 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -62.76 -31.7 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.01 -49.46 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.59 -58.74 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.792 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.98 -52.98 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 m -48.23 -38.35 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.35 -41.9 93.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.73 -34.68 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.759 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -74.65 -57.12 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -41.23 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 m -75.0 -28.59 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.3 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.17 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.89 -14.99 73.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.12 22.3 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.2 mm -89.81 108.9 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -56.57 122.34 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.13 46.24 21.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.05 139.63 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.7 103.89 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -53.41 -32.19 48.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -70.23 -43.77 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -71.66 -38.21 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.79 89.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.07 55.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.12 -28.36 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.3 tp -54.1 -57.55 17.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -43.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.06 -32.85 81.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -77.64 -34.28 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.82 1.21 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.86 73.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 76' ' ' VAL . 3.0 p -145.17 83.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -89.39 171.57 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 160.06 43.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.47 23.7 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.436 ' CD2' HG23 ' A' ' 86' ' ' THR . 3.0 t80 -136.82 163.66 30.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -83.33 163.38 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.54 121.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -177.2 174.38 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 p -80.53 -0.39 37.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.8 p -113.92 36.38 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.436 HG23 ' CD2' ' A' ' 80' ' ' TYR . 65.0 m -123.42 127.76 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -129.04 100.76 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.7 m -55.11 -26.52 38.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.93 18.89 12.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.8 t -144.92 120.12 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -103.88 113.13 26.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -74.89 119.1 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -95.26 -76.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.81 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.87 -32.81 55.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 -29.95 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.766 HG13 HD11 ' A' ' 35' ' ' LEU . 21.3 t -78.11 -46.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.562 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.7 m -64.77 -27.17 68.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.28 -47.42 84.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.16 -22.07 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 8' ' ' THR . 4.6 mt -70.0 -34.42 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.15 -58.21 14.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.75 -23.69 30.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 m -83.38 -16.25 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -63.49 -51.04 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -51.36 -38.78 55.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -79.58 -41.03 28.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.6 -12.12 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -94.59 -12.07 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.37 0.27 23.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.71 -168.84 21.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.23 42.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.94 -169.81 39.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.09 18.24 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.345 0.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 162.98 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.84 8.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -71.04 -35.81 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.5 t -64.17 -55.05 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.09 -47.28 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.99 -50.94 36.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.64 -38.52 93.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 28' ' ' CYS . 87.9 t -54.77 -55.75 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.664 ' HG3' HG11 ' A' ' 76' ' ' VAL . 20.0 mttt -59.91 -25.34 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -35.58 59.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.766 HD11 HG13 ' A' ' 7' ' ' VAL . 7.2 tt -65.1 -46.31 81.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD12 ' CG2' ' A' ' 76' ' ' VAL . 7.1 mt -73.68 -34.19 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -24.98 58.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -79.21 -11.74 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 2' ' ' ILE . . . -124.67 123.8 40.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -118.86 -37.55 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -87.57 -172.48 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.508 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -80.99 -51.42 0.92 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.97 -47.97 17.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -44.65 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -63.25 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -67.2 -42.87 83.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.13 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -56.96 -53.2 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.84 -38.39 15.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.53 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.4 m -72.54 -32.97 66.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 52' ' ' LEU . 14.5 mt -74.82 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -41.28 55.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -75.3 -27.71 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.94 -55.9 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.13 -14.68 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -15.83 49.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 1.6 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.433 HG21 HD12 ' A' ' 62' ' ' LEU . 34.0 mt -84.59 107.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.9 131.67 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 54.65 45.29 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.433 HD12 HG21 ' A' ' 59' ' ' ILE . 5.5 tp -51.51 139.61 19.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -103.39 101.21 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -54.2 -31.74 53.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.58 -45.87 81.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.04 -42.01 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.65 94.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.44 -22.42 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.0 -34.07 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -50.08 -57.58 12.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.72 -49.21 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.52 -27.13 58.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -76.95 -47.97 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.09 3.35 35.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.39 41.11 99.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.664 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.4 p -145.1 81.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.32 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -111.79 156.42 41.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 111.132 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -115.05 -176.22 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -100.34 162.07 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 78' ' ' ILE . 2.6 mp -112.89 107.29 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 p -176.47 155.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.7 t -69.71 -10.56 58.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -111.55 33.32 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -117.21 143.51 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -112.48 106.81 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.421 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.7 m -74.37 -24.08 59.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -62.02 -22.0 65.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.83 18.34 11.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 88' ' ' CYS . 95.4 t -95.03 128.87 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -99.73 107.94 20.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.12 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.4 mp -79.46 146.8 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -143.05 -70.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.6 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.86 -34.37 57.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.13 -24.44 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.659 HG13 ' CD1' ' A' ' 35' ' ' LEU . 11.3 t -76.27 -42.03 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 11' ' ' LEU . 21.3 m -68.85 -25.38 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -52.13 59.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.21 -20.49 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 8' ' ' THR . 15.1 mt -70.25 -35.21 73.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.99 -57.84 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.744 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.78 -23.86 30.25 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.0 m -83.39 -16.02 47.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.95 -48.11 75.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -50.88 -37.05 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -85.2 -37.17 20.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 18' ' ' LEU . 16.1 mt -71.07 -9.57 58.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -94.76 -13.75 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 10.44 20.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.26 -164.95 40.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.26 39.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.54 -165.35 34.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.67 39.97 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.348 0.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.9 162.87 26.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 52.9 Cg_endo -69.8 -41.25 4.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.282 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.734 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -65.33 -50.51 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -52.75 -50.34 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -45.7 73.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.45 87.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.9 t -54.7 -59.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -55.81 -24.7 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.72 -43.43 65.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.27 -31.78 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 76' ' ' VAL . 18.6 mt -85.73 -31.21 22.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -30.72 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.98 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.79 98.71 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -99.75 -30.92 11.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 p -95.3 -172.18 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.73 -49.62 0.92 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.556 0.693 . . . . 0.0 111.169 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.2 Cg_exo -47.98 -46.03 23.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.66 -50.05 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtm-85 -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.87 -48.77 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -50.48 72.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.12 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -62.0 -54.47 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.16 -35.54 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.84 -56.17 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -27.77 69.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.57 -53.94 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -41.32 56.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -73.21 -32.57 64.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.91 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -22.4 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.21 -17.44 61.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 p -100.05 19.7 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.46 113.7 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.76 114.06 1.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 58.49 52.36 7.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.67 HD21 ' OG ' ' A' ' 83' ' ' SER . 5.2 tp -51.26 139.52 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.39 104.42 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -53.3 -36.44 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.73 -43.99 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -68.07 -40.66 82.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.54 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.4 -27.53 56.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -72.69 -27.54 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -56.09 -58.02 18.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -34.39 14.64 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.96 -46.8 70.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.4 mptp? -75.63 -20.94 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.3 m -83.52 2.67 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.72 72.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.603 HG21 HD12 ' A' ' 36' ' ' LEU . 2.6 p -145.08 88.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.76 139.17 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -113.84 157.14 42.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.148 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.71 37.71 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.507 ' HB3' HG21 ' A' ' 91' ' ' VAL . 16.4 p90 -115.15 177.52 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -104.96 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 78' ' ' ILE . 2.7 mp -126.88 100.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.67 ' OG ' HD21 ' A' ' 62' ' ' LEU . 2.4 m -173.1 -179.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 t -77.83 -3.05 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 p -121.96 45.97 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -115.94 141.89 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' O ' HG23 ' A' ' 91' ' ' VAL . 22.9 t-20 -116.53 94.3 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 64.0 m -80.23 -25.72 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.8 -21.85 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.86 -16.42 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 80' ' ' TYR . 91.6 t -74.97 121.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -105.99 111.54 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.853 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.94 117.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -95.52 -75.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -42.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.42 58.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.88 -26.64 54.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.736 HG13 ' CD1' ' A' ' 35' ' ' LEU . 56.4 t -74.76 -35.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.68 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.0 m -73.92 -23.67 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -60.48 -47.35 86.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.77 -22.83 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 8' ' ' THR . 25.6 mt -69.8 -34.88 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.52 -58.37 13.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.3 Cg_endo -69.68 -23.91 30.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.49 -14.98 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.2 -47.85 75.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -50.68 -38.23 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.28 -34.61 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.4 mt -72.88 -8.57 56.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -95.51 -13.74 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 10.2 18.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.12 -164.47 40.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.24 39.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.91 -166.35 35.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 136.49 39.07 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.339 0.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.428 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.83 164.47 16.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.22 -34.2 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.7 t -65.64 -51.84 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 m -51.7 -49.22 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.51 -45.55 83.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.54 92.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 28' ' ' CYS . 61.3 t -54.58 -58.61 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -58.04 -23.99 56.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.14 -40.68 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.807 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.7 tt -65.81 -40.24 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD13 ' CG2' ' A' ' 76' ' ' VAL . 2.2 mt -76.2 -37.26 58.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -24.16 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -79.92 -12.94 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.59 86.75 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.75 -33.89 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 p -88.22 -173.01 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.512 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.52 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.564 0.697 . . . . 0.0 111.084 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 66.9 Cg_exo -48.02 -49.03 14.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 -45.79 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -50.98 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.4 -54.3 45.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.853 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -57.85 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.1 -38.71 18.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.15 -41.67 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.8 m -72.52 -34.34 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.764 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -74.1 -57.69 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -40.73 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 m -74.55 -28.76 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -54.49 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.87 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.22 -13.44 57.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -105.81 22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.01 111.19 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.25 122.9 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mttm 56.77 44.95 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.11 139.59 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.23 103.84 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 p -53.46 -34.47 58.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -69.51 -39.24 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.36 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.39 -27.33 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.46 -24.83 60.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -58.62 -57.54 25.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.68 0.753 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -37.27 9.44 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.97 83.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -76.61 -29.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.4 m -83.2 -5.41 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.0 -5.58 82.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.514 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.8 p -106.32 86.47 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.333 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -88.67 148.02 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.403 ' CG2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.71 157.11 40.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.83 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.769 ' CE1' HG22 ' A' ' 91' ' ' VAL . 17.8 m-85 -115.23 160.91 19.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.95 156.61 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.2 mm -90.12 106.14 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -164.8 160.57 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.4 t -74.49 -6.38 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 p -99.83 -24.55 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -51.99 142.96 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -115.41 103.6 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.424 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.7 m -76.0 -21.31 57.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -64.43 -20.65 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.91 17.73 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.769 HG22 ' CE1' ' A' ' 80' ' ' TYR . 92.4 t -89.86 120.47 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -104.48 115.05 29.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 39' ' ' ALA . 5.3 mp -74.78 140.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -95.72 -75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -40.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.15 -37.36 71.87 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -25.18 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 HD11 ' A' ' 11' ' ' LEU . 16.8 t -74.79 -44.71 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.507 ' HA ' HD12 ' A' ' 11' ' ' LEU . 6.3 m -64.92 -25.33 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 m -65.37 -52.57 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -20.74 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 8' ' ' THR . 18.8 mt -70.34 -35.19 73.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.91 -57.84 15.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -24.08 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.23 -15.83 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.4 mt -65.52 -47.61 75.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -50.25 -40.62 48.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -83.03 -38.09 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.3 mt -67.64 -12.31 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 p -94.2 -12.47 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.46 -1.42 25.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -167.32 21.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 138.67 38.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.77 -166.5 36.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 136.61 39.76 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.295 0.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.78 164.37 16.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 0.0 110.83 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.75 -43.63 2.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -64.86 -50.94 64.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.9 m -51.85 -50.55 60.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.87 -44.14 81.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.91 -43.76 81.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 28' ' ' CYS . 46.8 t -54.2 -60.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.11 -23.9 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.05 -43.46 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.708 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.81 -31.44 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 76' ' ' VAL . 20.8 mt -85.07 -34.98 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.92 -33.27 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.24 -1.71 53.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.721 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.7 107.53 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -115.94 -25.52 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -95.35 -173.14 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.27 0.75 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.97 -47.34 19.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' HB3' HD12 ' A' ' 2' ' ' ILE . 2.8 m-20 -64.74 -46.72 81.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.96 -28.34 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -68.3 -51.23 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.96 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.708 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -62.51 -55.08 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.02 -35.01 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.66 -61.16 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.3 m -63.98 -23.79 67.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.97 -62.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -38.82 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 m -75.2 -30.19 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' CYS . . . -69.54 -54.35 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -24.08 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.6 -18.73 52.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -99.84 21.57 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.431 HD11 ' CD2' ' A' ' 15' ' ' LEU . 37.0 mm -94.69 109.75 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -55.55 115.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttm 58.25 53.52 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.36 139.46 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -108.94 103.73 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -53.66 -35.23 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.72 -42.76 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -69.5 -41.27 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -39.43 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.33 -28.33 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.62 -25.27 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.9 tp -57.05 -57.95 21.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.5 Cg_endo -69.81 -40.93 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.628 2.218 . . . . 0.0 112.316 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.76 -37.79 95.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.88 -27.69 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.4 m -83.55 2.79 35.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.76 40.7 57.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.716 HG21 HD12 ' A' ' 36' ' ' LEU . 11.5 p -145.1 140.18 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -125.28 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.522 HG22 HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.09 153.77 44.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -19.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -124.97 -176.2 3.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -104.87 173.64 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.8 115.82 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -179.43 158.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.2 t -72.2 -8.66 55.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.7 p -110.88 37.59 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -123.81 143.2 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -112.77 98.27 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.07 -14.66 62.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.574 HD21 ' H ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -74.84 -22.57 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.86 18.52 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.55 120.08 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -93.95 115.02 27.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.979 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.93 116.33 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -95.71 -75.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.8 -38.26 82.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.45 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG13 ' CD1' ' A' ' 35' ' ' LEU . 20.1 t -74.69 -42.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.681 ' HA ' HD12 ' A' ' 11' ' ' LEU . 28.4 m -65.42 -26.75 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.89 -51.84 65.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 1.5 m-20 -76.3 -14.48 60.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 8' ' ' THR . 16.1 mt -73.57 -37.61 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.614 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.19 -54.15 53.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.0 Cg_endo -69.8 -27.31 26.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.358 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -82.45 -16.11 50.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.2 mt -65.32 -48.03 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -50.72 -37.25 40.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.3 -36.96 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 18' ' ' LEU . 16.8 mt -71.02 -9.62 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -94.67 -13.8 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.73 6.72 26.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.91 -164.07 37.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.22 39.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.13 -165.41 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.71 45.42 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.352 0.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.6 p -63.79 162.69 26.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.84 -42.35 3.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -35.76 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.729 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.8 t -65.14 -50.75 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -51.83 -50.74 60.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 -45.36 78.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.62 87.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 28' ' ' CYS . 65.8 t -54.79 -59.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.091 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -57.71 -22.92 49.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -40.48 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.847 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.26 -36.67 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 76' ' ' VAL . 22.7 mt -82.63 -25.41 33.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.84 -37.08 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.22 -3.49 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.7 78.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.57 -38.08 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 p -85.33 -173.83 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.01 -49.62 0.88 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -47.89 -46.76 20.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.391 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.74 -47.94 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.76 -49.89 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.77 -57.5 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.979 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.23 -53.68 52.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 m -47.94 -40.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -63.32 -42.02 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.9 m -71.41 -37.41 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.627 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -69.57 -52.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -50.79 -41.93 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -71.31 -30.89 66.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.65 -57.84 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.13 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.66 -15.79 66.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.561 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -103.66 22.11 14.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.53 113.16 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.17 118.42 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttt 58.43 47.67 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.79 139.7 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.78 103.91 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 p -53.37 -34.72 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.6 -43.16 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.13 -40.57 74.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.24 79.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.52 56.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.7 -57.96 20.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -41.49 4.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.84 93.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -77.32 -28.09 53.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.24 2.4 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 40.1 46.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.716 HG21 HD12 ' A' ' 36' ' ' LEU . 12.5 p -145.3 140.71 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -130.87 145.61 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.27 157.9 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.31 35.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.492 ' CE1' HG22 ' A' ' 91' ' ' VAL . 8.2 m-85 -124.8 168.31 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 168.85 14.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.1 mm -110.18 94.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -166.91 -177.01 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 0.23 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -111.9 26.19 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -102.86 142.05 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.34 94.95 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -79.93 -5.55 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.2 -35.77 35.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 p -102.35 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 88' ' ' CYS . 84.6 t -80.56 132.87 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -89.96 114.98 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.717 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.94 119.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -95.41 -75.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -41.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.46 -38.06 68.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -28.98 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.736 HG13 ' CD1' ' A' ' 35' ' ' LEU . 40.4 t -74.71 -41.31 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.698 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.7 m -67.99 -20.7 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -52.37 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.17 -20.79 59.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.759 HD21 HD23 ' A' ' 52' ' ' LEU . 32.6 mt -70.11 -35.03 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.536 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.01 -57.99 15.48 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.79 -23.8 30.26 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -83.61 -15.47 48.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.3 mt -65.12 -48.07 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.4 m -50.24 -37.8 37.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.18 -38.59 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.87 -12.17 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 p -94.27 -12.2 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.02 -1.32 24.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.533 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.53 23.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.05 39.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.41 -166.55 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.97 31.64 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.349 0.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.432 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.76 164.52 16.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.759 . . . . 0.0 110.824 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.3 Cg_endo -69.73 -42.71 3.19 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.6 -35.28 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.731 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.2 t -64.99 -50.89 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -52.6 -50.6 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.68 -46.38 66.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.44 -40.12 91.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 28' ' ' CYS . 96.3 t -55.6 -57.83 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HG3' HG11 ' A' ' 76' ' ' VAL . 19.8 mttt -57.64 -23.44 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -41.07 63.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.37 -37.91 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -79.18 -34.33 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.43 61.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -77.7 -9.64 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 82.14 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -80.39 -38.26 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.99 -173.51 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.12 -49.68 0.87 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.1 Cg_exo -47.94 -49.07 14.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.61 -45.64 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -50.51 45.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.27 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -57.69 -54.19 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.89 -38.65 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.35 -42.41 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -71.89 -32.93 67.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.759 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.51 -54.66 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.63 -42.46 56.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 m -75.13 -28.3 60.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.44 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.26 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.43 42.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -98.31 21.84 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 15' ' ' LEU . 38.9 mm -97.54 116.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 60' ' ' THR . 2.4 t -59.89 111.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt 58.74 57.89 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.18 139.56 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.03 103.98 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -53.52 -35.51 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.47 -43.53 85.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.28 -40.55 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.13 -27.16 56.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.17 -29.24 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.78 -58.07 14.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -37.31 9.33 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.03 -47.15 91.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.8 mptp? -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 m -83.64 2.2 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 27.65 73.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -145.02 85.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -89.58 148.73 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.92 156.53 41.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -124.92 167.28 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -99.58 175.81 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.66 124.83 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -179.41 159.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 p -68.51 -11.95 60.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.8 p -110.6 22.57 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.5 m -104.85 142.75 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -120.46 106.98 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.1 mp -75.04 125.37 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -95.18 -74.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.69 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.49 -34.36 68.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.18 72.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.712 HG13 ' CD1' ' A' ' 35' ' ' LEU . 21.0 t -74.94 -42.68 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 11' ' ' LEU . 33.7 m -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.17 -52.28 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.16 -20.08 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 8' ' ' THR . 18.8 mt -70.04 -35.63 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.535 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.01 -57.89 15.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.72 -23.56 30.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.9 m -83.38 -16.4 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.22 -46.53 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -50.87 -39.85 54.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -84.2 -34.19 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 18' ' ' LEU . 15.2 mt -73.14 -8.23 54.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -95.06 -14.66 24.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.47 6.19 21.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.1 -165.61 40.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.18 39.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.82 -166.09 36.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 136.93 41.38 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.313 0.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.515 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.52 163.16 21.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.8 -41.58 4.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.04 -35.44 80.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.5 t -65.5 -51.53 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -51.92 -49.04 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -45.21 85.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.49 -39.55 86.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' CYS . 74.1 t -55.78 -56.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -57.74 -24.29 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -72.95 -40.6 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.712 ' CD1' HG13 ' A' ' 7' ' ' VAL . 6.9 tt -65.3 -38.22 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.703 HD21 HG22 ' A' ' 78' ' ' ILE . 3.8 mt -73.43 -39.9 64.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -23.67 58.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -78.48 -16.65 57.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.8 112.55 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -110.16 -39.28 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -84.96 -172.66 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.39 -49.84 1.38 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.583 0.706 . . . . 0.0 111.129 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.96 -50.21 12.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.63 -43.4 93.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -64.27 -26.84 68.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.97 -51.86 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.24 -57.29 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -51.72 -55.25 20.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.92 -49.17 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -57.07 -48.18 79.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 m -64.82 -29.87 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.16 -56.98 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -50.82 -41.85 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -75.1 -27.08 59.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.03 -51.19 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.75 -17.67 43.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.8 p -92.12 1.74 57.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -84.07 115.36 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.18 122.24 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt 58.5 52.85 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.08 139.52 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -105.89 103.34 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 p -53.47 -36.88 62.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -65.38 -45.99 81.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -66.88 -39.0 87.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.01 79.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.34 56.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.23 -57.26 27.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.2 Cg_endo -69.76 -38.82 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.64 -36.76 91.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.89 -28.52 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.52 1.98 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.21 17.67 70.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.0 p -128.19 119.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.29 153.68 17.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.703 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.58 153.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.14 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -124.78 -170.29 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -103.65 175.73 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.41 94.88 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 m -165.97 -176.68 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -80.66 0.29 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -125.67 50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.8 m -121.25 136.42 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.59 94.97 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.761 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.05 119.58 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -95.51 -74.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.97 -35.18 74.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.98 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.714 HG13 ' CD1' ' A' ' 35' ' ' LEU . 21.3 t -74.9 -39.58 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.551 ' HA ' HD12 ' A' ' 11' ' ' LEU . 25.5 m -69.66 -24.04 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.53 -52.15 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.04 -21.09 59.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 52' ' ' LEU . 17.8 mt -69.98 -34.67 73.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.539 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.23 -58.06 15.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.628 0.728 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.78 -23.57 30.55 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.38 -17.13 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.5 mt -62.71 -50.14 72.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.3 m -50.38 -34.91 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -85.24 -37.16 20.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 18' ' ' LEU . 24.1 mt -73.43 -7.12 50.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -94.6 -15.19 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.77 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.51 -164.09 39.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.13 39.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.58 -164.89 34.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.36 43.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 0.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.77 162.88 24.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.76 -41.72 4.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.2 -33.86 77.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.736 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.4 t -67.43 -50.09 60.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.37 -49.12 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.19 -45.5 92.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.05 -40.77 93.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 28' ' ' CYS . 95.0 t -55.25 -58.34 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HG3' HG11 ' A' ' 76' ' ' VAL . 8.2 mtpt -57.33 -23.6 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -73.55 -41.1 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.821 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.06 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.16 -32.52 38.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.95 -26.95 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -84.46 -2.94 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.82 87.47 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.549 ' OD1' HG23 ' A' ' 41' ' ' THR . 2.1 p30 -86.89 -39.35 15.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' OD1' ' A' ' 40' ' ' ASN . 33.0 p -86.62 -172.91 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.1 -49.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.3 Cg_exo -48.04 -43.91 29.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' HD13 ' A' ' 2' ' ' ILE . 7.9 m-20 -64.67 -42.84 95.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -64.53 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -52.36 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.821 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -51.56 -53.8 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.7 m -47.84 -42.62 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.55 -45.54 93.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.2 m -68.62 -31.93 71.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -72.33 -54.97 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -41.33 55.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -73.62 -29.03 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -55.05 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.03 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.65 -18.39 45.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -100.26 21.98 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.491 HD11 ' CD2' ' A' ' 15' ' ' LEU . 40.1 mm -96.82 118.74 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 60' ' ' THR . 2.8 t -63.36 111.5 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.84 58.09 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.11 139.49 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -108.13 103.62 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -53.49 -35.49 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.35 -43.26 86.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -68.59 -40.51 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.4 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.95 57.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.55 -24.96 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.2 tp -57.7 -57.7 23.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.8 -39.34 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.34 92.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -76.76 -29.31 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.3 m -83.58 2.13 38.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.73 76.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 76' ' ' VAL . 2.8 p -129.51 85.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -89.59 144.19 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.83 156.45 41.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -124.91 169.81 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -102.58 177.94 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.51 112.99 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.5 p -175.12 -171.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.1 p -80.73 0.13 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.7 p -124.29 30.43 6.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -93.55 141.86 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.34 94.87 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 1.003 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -82.16 147.27 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -143.08 -71.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -33.71 66.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.04 -25.23 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.676 HG13 ' CD1' ' A' ' 35' ' ' LEU . 17.5 t -75.02 -42.24 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.5 m -69.3 -23.22 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -51.52 63.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.35 -20.24 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 8' ' ' THR . 20.7 mt -70.3 -35.37 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.26 -57.71 17.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -23.95 30.37 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m -83.39 -16.06 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.4 mt -65.07 -47.8 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -50.7 -38.41 46.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.01 -34.32 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.26 -8.29 55.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.97 -14.47 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 10.59 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.12 -163.95 39.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.37 40.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.02 -166.53 35.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 137.67 45.05 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.35 0.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.427 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.08 164.22 19.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.715 0.769 . . . . 0.0 110.823 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.9 Cg_endo -69.72 -43.21 2.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.6 -34.08 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.5 t -65.91 -50.85 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.1 m -52.89 -50.42 63.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.64 -44.79 79.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.32 84.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.1 t -54.75 -58.67 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -56.2 -25.01 45.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -71.14 -42.94 68.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.824 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.25 -33.85 76.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD21 HG21 ' A' ' 78' ' ' ILE . 16.7 mt -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -36.64 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -7.5 53.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.31 -37.44 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -86.63 -172.61 4.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.96 -49.63 0.89 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.567 0.699 . . . . 0.0 111.17 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -48.0 -47.87 17.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -47.58 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -62.45 -26.24 68.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -70.07 -51.12 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.01 -50.97 67.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.003 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -60.76 -56.39 21.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.4 m -48.09 -38.43 17.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.92 -51.73 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.7 m -69.33 -24.9 63.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -75.1 -59.55 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.15 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t -75.12 -27.91 60.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' CYS . . . -69.12 -49.98 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -14.47 60.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -17.14 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 m -92.91 2.58 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.4 mt -84.0 115.01 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -74.32 125.64 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.41 47.99 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.81 139.43 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.45 103.45 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 p -53.39 -36.34 61.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -65.83 -45.12 83.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -67.3 -39.51 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.48 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.08 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.82 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.59 -57.5 26.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -37.68 8.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.54 87.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.58 -28.47 56.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.29 -5.35 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.99 -5.64 82.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 76' ' ' VAL . 2.7 p -106.63 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.331 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.98 143.98 26.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.478 HG21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.87 158.21 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 111.164 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.58 37.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -124.87 151.34 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 170.7 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -110.59 102.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 p -171.51 -172.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.1 p -80.55 -0.34 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.6 p -117.96 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -122.05 130.96 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -111.63 94.88 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.876 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.05 114.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -95.16 -75.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.01 82.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -27.38 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.741 HG13 ' CD1' ' A' ' 35' ' ' LEU . 44.6 t -74.9 -43.12 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.707 ' HA ' HD12 ' A' ' 11' ' ' LEU . 28.0 m -66.77 -21.75 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -51.74 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.16 -20.07 59.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 8' ' ' THR . 38.4 mt -70.27 -35.25 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.28 -57.7 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.5 Cg_endo -69.76 -23.94 30.25 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 m -83.56 -15.76 48.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -65.23 -47.5 76.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -50.46 -38.57 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.17 -35.89 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 18' ' ' LEU . 13.0 mt -69.19 -11.51 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.6 -12.72 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 -1.12 23.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.38 -167.53 21.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 139.33 40.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.19 -166.71 36.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 136.23 37.77 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.327 0.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.75 164.38 16.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.736 0.779 . . . . 0.0 110.804 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.4 Cg_endo -69.74 -43.59 2.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -65.51 -35.11 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.3 t -64.81 -51.47 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.0 m -52.32 -50.74 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.04 -47.03 60.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.87 93.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 28' ' ' CYS . 94.0 t -54.98 -58.48 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HG3' HG11 ' A' ' 76' ' ' VAL . 16.7 mttt -57.7 -23.7 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -40.82 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.821 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.5 tt -65.21 -38.19 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.31 -26.99 38.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.39 -35.1 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.09 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.66 81.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.8 p -85.11 -175.21 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.04 -49.61 0.88 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.1 Cg_exo -47.98 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.64 -43.3 94.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -63.53 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.84 -44.15 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.86 -53.72 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.876 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -57.64 -53.95 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.74 -37.9 14.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -65.09 -44.16 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 20.4 m -71.57 -31.54 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.687 ' CD2' HD21 ' A' ' 11' ' ' LEU . 13.0 mt -75.08 -57.47 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -42.33 54.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.51 -27.3 58.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -69.71 -46.37 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.36 -14.46 60.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.17 -18.26 41.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -91.42 1.46 57.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.422 HD12 HD13 ' A' ' 62' ' ' LEU . 41.9 mt -84.17 116.12 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.12 123.5 24.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 58.44 49.87 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.422 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.58 139.49 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.85 103.86 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 p -53.24 -35.5 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.15 -44.49 83.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.66 -39.55 84.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.46 81.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.12 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.23 -29.21 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.86 -58.02 15.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.78 -37.38 9.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.93 -47.21 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.9 mptp? -75.42 -22.31 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -83.57 1.86 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.63 74.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.9 p -145.2 84.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -89.48 145.26 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.0 156.43 41.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.627 0.727 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -15.93 37.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -114.81 166.74 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -102.21 173.37 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.16 97.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -149.88 158.68 44.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.69 -12.87 61.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.9 p -113.63 24.44 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.0 m -104.0 142.82 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -118.83 104.87 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.323 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.661 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.99 119.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -95.18 -75.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.14 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.96 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.22 -31.15 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.721 HG13 HD11 ' A' ' 35' ' ' LEU . 21.2 t -74.79 -43.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.49 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.2 m -67.79 -22.18 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.71 -53.28 42.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.16 -21.84 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.72 HD21 HD23 ' A' ' 52' ' ' LEU . 22.6 mt -69.8 -34.3 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.2 -58.33 14.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.1 Cg_endo -69.76 -23.5 30.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -83.17 -17.15 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.5 mt -62.78 -47.29 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -50.5 -38.41 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -85.07 -34.18 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.5 -8.97 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -94.88 -14.11 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.73 7.18 22.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.63 -164.84 39.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.35 40.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 -166.6 35.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 137.29 43.0 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.338 0.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.92 164.29 18.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.76 -45.87 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.84 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.5 t -65.78 -51.86 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.72 -50.42 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -46.42 71.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.549 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.78 93.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 28' ' ' CYS . 73.5 t -55.38 -58.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.175 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.38 -23.59 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -73.21 -41.37 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.721 HD11 HG13 ' A' ' 7' ' ' VAL . 7.3 tt -64.72 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 76' ' ' VAL . 9.9 mt -79.83 -25.42 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -28.54 44.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.469 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -83.71 -3.85 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.93 115.61 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -116.9 -38.95 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -86.9 -171.93 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.42 -49.73 1.16 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.159 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -47.98 -44.93 26.43 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.641 2.228 . . . . 0.0 112.376 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.81 -47.14 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -61.64 -28.52 69.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.5 -52.28 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -58.3 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -53.84 -52.46 60.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -47.94 -40.54 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.1 -48.46 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.7 -36.87 85.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.72 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -70.26 -53.05 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -50.83 -42.71 58.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -71.79 -28.93 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.6 -56.81 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.51 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.61 -18.13 50.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.427 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -100.52 21.78 12.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 15' ' ' LEU . 36.5 mm -94.4 114.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.81 112.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 58.72 55.41 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.99 139.45 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.28 104.19 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.8 p -53.36 -35.37 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.57 -42.14 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.98 -40.87 78.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.31 79.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.55 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.04 -28.15 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -54.58 -58.09 15.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.77 -37.24 9.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.319 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.69 -46.36 92.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.438 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -75.29 -22.83 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.66 2.21 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.94 41.04 88.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 36' ' ' LEU . 11.8 p -145.21 136.07 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.59 137.63 50.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.39 149.68 40.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.53 30.65 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -124.65 -169.85 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -102.81 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.99 102.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 p -176.29 178.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.8 t -80.5 -0.01 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -121.27 48.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 m -118.52 141.06 48.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -126.01 93.92 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.65 121.43 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -95.16 -75.09 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.72 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.07 -32.08 56.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.08 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.636 HG13 ' CD1' ' A' ' 35' ' ' LEU . 20.3 t -75.49 -46.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.653 ' HA ' HD12 ' A' ' 11' ' ' LEU . 38.9 m -65.03 -24.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.61 -52.69 56.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.22 -20.09 59.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 8' ' ' THR . 20.7 mt -70.18 -35.65 74.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.544 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.92 -57.87 15.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.75 -23.61 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 m -83.53 -15.82 47.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.6 mt -65.02 -47.0 79.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -50.55 -40.89 53.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -83.29 -34.85 25.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.18 -10.58 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -94.57 -13.51 25.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.4 -0.81 23.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.69 -168.12 24.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 138.85 38.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.05 -165.12 36.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.07 41.96 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.347 0.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.514 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.74 163.13 23.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.8 -41.01 4.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -66.32 -36.31 82.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.1 t -64.9 -51.52 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -51.82 -49.26 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.07 84.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -39.55 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 28' ' ' CYS . 63.9 t -55.7 -56.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -57.5 -24.74 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -72.62 -40.66 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' CD1' HG13 ' A' ' 7' ' ' VAL . 6.8 tt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.704 HD11 ' CG2' ' A' ' 78' ' ' ILE . 6.1 mt -78.41 -36.69 45.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.06 58.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.01 -5.37 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 105.95 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.483 ' OD1' HG23 ' A' ' 41' ' ' THR . 2.7 p30 -105.44 -39.89 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' OD1' ' A' ' 40' ' ' ASN . 28.9 p -86.31 -173.33 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.07 -49.65 1.02 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.4 Cg_exo -48.03 -40.32 33.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' HB3' HD13 ' A' ' 2' ' ' ILE . 9.6 m-20 -64.92 -52.33 56.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -25.66 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.24 -50.67 37.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.71 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -51.72 -54.38 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -47.71 -47.75 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -56.68 -39.91 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.9 m -75.05 -29.47 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.27 -57.37 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -50.71 -41.3 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -75.04 -27.86 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' CB ' HD13 ' A' ' 11' ' ' LEU . . . -73.3 -52.7 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.2 -14.67 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.63 -17.88 42.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 t -91.81 1.82 56.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -84.16 109.55 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 t -71.82 123.9 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.49 51.82 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.98 139.52 17.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.03 102.91 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.3 p -53.31 -33.94 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -67.97 -44.07 77.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.32 -39.72 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.24 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.54 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.74 -25.35 60.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.76 -57.27 26.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.77 -39.71 6.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.39 92.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.91 -28.81 55.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.7 m -83.46 1.9 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.05 10.38 65.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.0 p -120.85 119.64 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -97.39 156.04 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.704 ' CG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.7 153.83 44.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 111.115 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.06 22.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -125.01 -174.52 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 177.0 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.14 95.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -161.35 -174.68 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -80.43 -0.23 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 42.51 3.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 m -109.88 119.94 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.61 94.42 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.716 0.293 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.49 119.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -95.17 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.62 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.37 -34.55 63.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.09 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.694 HG13 HD11 ' A' ' 35' ' ' LEU . 22.7 t -74.78 -45.49 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.659 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -66.9 -23.72 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -51.45 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.41 -20.71 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 8' ' ' THR . 15.7 mt -70.12 -34.97 73.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.21 -57.93 16.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.4 Cg_endo -69.77 -23.71 30.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.43 -15.95 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.13 -46.36 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -50.69 -42.48 56.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.72 -38.35 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.04 -12.98 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -94.39 -11.82 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.19 -1.85 25.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -166.5 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.09 39.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.44 -166.86 36.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.42 38.65 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.323 0.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.444 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.89 164.42 17.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.72 -45.47 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -64.14 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 t -64.76 -50.26 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -52.65 -52.42 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.43 -46.01 58.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.39 91.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 28' ' ' CYS . 98.7 t -54.96 -59.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -58.26 -22.37 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -40.06 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.773 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.66 -38.94 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.924 HD21 HG22 ' A' ' 78' ' ' ILE . 5.5 mt -76.66 -38.03 55.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -22.92 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.14 -14.09 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.529 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.76 92.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -88.53 -36.01 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 p -86.42 -173.56 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.0 -49.62 0.89 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -48.03 -50.39 11.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.62 -43.74 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -63.69 -27.42 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -71.7 -44.09 64.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.88 63.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.773 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -57.94 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.76 -40.55 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -62.24 -44.03 97.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -72.24 -30.57 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -73.18 -54.74 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -43.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -75.15 -25.83 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.84 -52.03 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.21 -14.57 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -17.08 46.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.4 p -92.57 1.44 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.502 HD12 HD13 ' A' ' 62' ' ' LEU . 38.6 mt -84.22 101.48 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 t -65.16 129.13 38.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mttp 55.06 46.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.502 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -51.18 139.38 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -107.56 103.71 13.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.5 p -53.36 -30.1 37.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.85 -48.24 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 82' ' ' ILE . . . -59.53 -37.4 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.79 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.63 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.12 -58.02 18.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.3 Cg_endo -69.78 -42.88 3.01 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.71 94.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -77.32 -27.67 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.55 2.94 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.92 40.51 43.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.21 140.48 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -117.67 147.65 42.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.924 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.87 158.97 44.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -28.55 24.94 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.594 ' CD2' HG23 ' A' ' 86' ' ' THR . 2.7 t80 -136.66 176.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -82.96 160.46 22.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.437 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 5.1 mp -97.91 101.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -166.28 -176.0 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.7 p -82.94 5.4 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.8 p -121.55 48.33 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.594 HG23 ' CD2' ' A' ' 80' ' ' TYR . 44.1 m -116.35 141.84 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -131.52 94.76 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 1.03 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.4 mp -80.26 147.05 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -143.2 -70.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.1 -35.48 77.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.14 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 35' ' ' LEU . 10.8 t -77.13 -46.89 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.1 m -68.68 -25.91 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -63.02 -51.16 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.44 -20.7 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 8' ' ' THR . 17.8 mt -70.14 -35.3 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.03 -57.98 15.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.67 0.747 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.72 -23.77 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -83.6 -15.48 48.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.0 -47.64 76.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -50.35 -38.93 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -85.06 -34.05 22.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 18' ' ' LEU . 13.9 mt -72.03 -9.38 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.78 -13.99 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.14 7.58 21.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 -165.25 40.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.33 39.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.34 -166.15 35.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 137.65 44.85 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.373 0.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.8 164.4 16.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.849 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.6 Cg_endo -69.76 -43.67 2.53 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.72 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.9 t -64.77 -53.0 53.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.5 m -51.81 -49.6 62.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -43.98 77.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.17 -41.05 81.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 28' ' ' CYS . 58.3 t -54.88 -57.03 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 111.142 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -57.69 -25.41 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -70.4 -41.2 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.587 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.6 tt -65.32 -40.05 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.836 HD21 HG22 ' A' ' 78' ' ' ILE . 2.6 mt -76.29 -34.67 59.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.27 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.07 -4.98 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 127.86 47.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -125.87 -38.9 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -91.41 -172.1 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.38 -49.8 1.16 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.525 0.679 . . . . 0.0 111.111 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 42' ' ' THR . 63.5 Cg_exo -47.86 -46.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.84 -47.08 79.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -63.47 -26.42 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -69.89 -46.2 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.26 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.03 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -59.64 -53.62 55.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.09 -39.85 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.48 -57.51 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.44 -23.62 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -75.14 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -50.72 -40.77 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 m -74.5 -28.97 61.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -70.6 -53.18 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.37 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.22 -14.81 55.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.6 p -96.04 4.92 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.418 HD12 HD13 ' A' ' 62' ' ' LEU . 45.2 mt -84.03 99.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 t -61.76 124.74 21.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt 58.42 48.82 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.418 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.93 139.44 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.7 103.62 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.7 p -53.21 -34.1 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -68.58 -45.1 72.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -69.98 -38.01 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.99 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.56 -27.49 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.75 -25.51 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.62 -57.35 25.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.672 0.749 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.41 90.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.92 -29.85 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.41 1.84 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.33 9.48 64.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG22 HD13 ' A' ' 36' ' ' LEU . 6.5 p -120.33 119.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -103.01 155.17 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.836 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.45 149.9 41.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.73 . . . . 0.0 111.149 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.74 36.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -124.82 168.88 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 82' ' ' ILE . 2.9 mttt -84.95 165.75 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.522 HD11 HG13 ' A' ' 78' ' ' ILE . 5.4 mm -115.31 94.52 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -174.75 -178.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -81.12 0.61 35.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 p -113.96 43.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -126.88 142.73 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -138.82 95.01 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.864 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.63 115.77 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -95.07 -75.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -38.91 66.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.5 62.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.74 HG13 ' CD1' ' A' ' 35' ' ' LEU . 38.2 t -77.91 -46.65 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.701 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.3 m -65.02 -23.09 67.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.57 -51.53 67.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.36 -20.46 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 52' ' ' LEU . 36.0 mt -70.28 -34.84 73.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.43 -57.82 16.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -23.91 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -83.43 -16.33 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -64.55 -47.95 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -50.36 -38.2 41.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -85.19 -34.18 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.87 -9.5 58.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -94.86 -13.87 25.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.03 12.56 13.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.66 -164.25 39.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.36 39.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.16 -166.21 35.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 137.71 45.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.333 0.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.436 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.88 164.3 17.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.846 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.2 Cg_endo -69.73 -44.42 2.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.69 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.719 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.4 t -64.65 -52.41 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.6 m -52.49 -50.97 61.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.47 -45.68 58.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.4 -41.27 85.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 28' ' ' CYS . 65.1 t -54.81 -58.38 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' HG11 ' A' ' 76' ' ' VAL . 18.2 mttt -58.26 -23.75 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -74.25 -39.69 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.878 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.5 tt -65.16 -39.67 93.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 HG21 ' A' ' 78' ' ' ILE . 31.3 mt -80.02 -25.44 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.78 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -76.81 -4.84 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.75 86.32 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -86.84 -37.43 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -87.18 -172.32 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.89 -49.58 0.9 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.137 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.1 Cg_exo -48.04 -47.55 18.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.84 -46.41 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.17 -49.51 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.39 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.878 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -58.1 -53.32 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.83 -37.71 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.72 -44.54 85.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 63.6 m -70.7 -32.91 70.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 11' ' ' LEU . 12.6 mt -74.61 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -41.2 59.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -75.19 -27.27 59.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -72.31 -52.12 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -14.48 60.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.48 -14.62 55.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -96.49 5.66 50.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.41 HD12 HD13 ' A' ' 62' ' ' LEU . 46.1 mt -83.97 110.22 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 t -67.97 127.18 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 58.32 44.57 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.51 139.38 15.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -108.95 104.22 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -53.4 -31.16 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -69.34 -45.46 69.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.67 -37.66 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 82' ' ' ILE . . . -61.34 -39.71 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.09 -26.26 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.52 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.54 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -54.03 -57.96 15.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.76 -36.78 10.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.05 90.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -75.58 -22.32 57.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -83.5 1.69 40.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.79 26.51 74.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 76' ' ' VAL . 3.0 p -145.4 83.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -89.62 143.82 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.43 HG21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.08 156.47 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -13.02 34.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -115.1 155.68 26.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -84.93 168.68 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.576 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 14.0 mm -114.18 108.5 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -179.04 166.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.7 t -76.62 -4.84 45.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.2 p -112.63 34.04 4.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.2 m -121.5 143.64 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -114.06 102.09 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.856 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.78 118.81 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -95.21 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.66 -37.16 67.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.19 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 35' ' ' LEU . 39.9 t -74.84 -47.63 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.556 ' HA ' HD12 ' A' ' 11' ' ' LEU . 4.1 m -64.64 -22.84 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -48.78 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.06 -22.23 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 8' ' ' THR . 5.4 mt -70.0 -33.68 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.526 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.88 -58.2 15.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.77 -23.55 30.63 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 m -82.98 -18.59 39.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -52.22 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.13 -32.08 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -85.18 -39.38 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.77 -8.75 56.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 -13.88 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.77 19.01 7.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.02 -167.08 35.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.79 41.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.98 -169.53 39.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 130.66 17.19 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.366 0.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.38 163.11 27.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -36.11 11.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.06 -36.09 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.709 ' O ' HG23 ' A' ' 32' ' ' VAL . 13.3 t -64.04 -55.1 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -54.92 -47.0 74.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.96 -49.08 43.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.27 -38.06 71.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 28' ' ' CYS . 92.6 t -56.75 -55.26 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.74 ' HG3' HG11 ' A' ' 76' ' ' VAL . 13.6 mttt -59.81 -22.72 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -75.16 -37.85 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.5 tt -65.76 -50.18 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.882 HD21 HG22 ' A' ' 78' ' ' ILE . 1.6 mt -67.1 -32.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -36.43 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -75.06 -11.29 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.64 82.18 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -86.65 -28.45 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.0 p -93.61 -172.41 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.529 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -81.56 -51.4 0.85 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.722 . . . . 0.0 111.12 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -47.96 -49.08 14.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB3' HD13 ' A' ' 2' ' ' ILE . 13.9 m-20 -64.84 -44.95 88.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -63.65 -26.52 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -69.98 -51.44 32.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.08 -59.24 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.856 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -51.78 -54.53 27.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -47.78 -47.52 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -56.4 -39.58 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.0 m -75.22 -30.11 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.4 -55.99 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.97 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.5 t -75.03 -25.71 58.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -74.3 -52.89 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -14.54 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.77 -16.68 47.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.7 p -92.89 0.69 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.489 HD12 HD13 ' A' ' 62' ' ' LEU . 34.2 mt -84.59 110.86 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.1 127.43 33.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm 55.17 48.74 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 59' ' ' ILE . 5.5 tp -51.65 139.61 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -104.4 101.6 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -54.15 -32.9 56.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -65.11 -47.51 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.57 -40.84 69.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.41 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 -20.48 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.98 -36.35 59.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.632 HD21 HG21 ' A' ' 32' ' ' VAL . 2.9 tp -49.24 -56.87 13.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.701 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.38 -27.03 57.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -77.28 -47.84 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.25 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.53 41.18 99.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.4 p -145.56 81.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.89 -179.75 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.882 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -113.53 158.39 38.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 111.175 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 54.1 Cg_endo -69.72 -7.85 22.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -124.94 168.15 13.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 163.35 19.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 78' ' ' ILE . 3.0 mp -105.5 94.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 p -159.94 177.77 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 p -80.62 -0.02 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -116.5 24.02 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.5 m -97.41 133.21 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -117.08 95.21 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.748 0.309 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -74.77 119.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -95.63 -75.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.45 -31.86 57.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.58 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -74.49 -38.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.9 m -70.84 -26.03 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -49.25 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.16 -15.03 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 8' ' ' THR . 9.2 mt -73.53 -37.77 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.603 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.03 -54.35 51.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.79 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.4 m -83.02 -14.85 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.04 -51.58 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.0 m -50.92 -34.21 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -85.31 -38.46 18.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.97 -10.26 59.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.74 -12.21 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.11 -0.28 22.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.39 -170.6 28.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.32 47.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -168.65 39.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.85 23.47 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 0.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -64.05 163.75 21.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.76 -37.14 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -71.5 -36.34 71.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.742 ' O ' HG23 ' A' ' 32' ' ' VAL . 10.5 t -64.08 -54.31 36.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.51 -47.95 72.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.04 -48.75 45.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.48 80.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 28' ' ' CYS . 98.9 t -57.11 -55.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.098 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG3' HG11 ' A' ' 76' ' ' VAL . 21.4 mttt -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -75.25 -39.0 60.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 52' ' ' LEU . 8.0 tt -65.44 -46.94 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.761 HD21 HG22 ' A' ' 78' ' ' ILE . 8.2 mt -68.41 -37.65 80.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.79 58.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -84.36 -15.32 46.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 98.34 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.03 -28.84 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.1 p -94.52 -173.91 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.512 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.37 -49.71 1.4 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.551 0.691 . . . . 0.0 111.177 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -48.03 -50.86 11.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.291 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.11 -45.04 90.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -62.92 -26.65 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.99 -51.51 31.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.82 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.37 -52.68 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.28 -39.07 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -65.18 -40.76 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.9 m -73.7 -33.44 64.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -75.13 -57.87 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -40.06 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 -30.04 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -55.2 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.72 55.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.3 -9.79 61.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -109.42 22.1 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mm -95.06 114.85 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 60' ' ' THR . 2.8 t -62.86 110.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mttp 58.41 55.67 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.66 139.75 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -105.6 101.72 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 p -54.24 -35.07 62.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.21 -44.22 89.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -71.16 -41.68 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.78 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.98 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.15 -36.08 58.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 32' ' ' VAL . 2.1 tp -49.52 -56.83 14.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.73 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.13 -25.68 57.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -77.36 -49.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.19 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.33 44.09 97.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.434 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.488 HG22 HD12 ' A' ' 36' ' ' LEU . 3.1 p -145.31 82.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -96.17 176.51 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -110.77 157.15 39.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.134 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -8.05 22.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -124.74 -170.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.56 169.43 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 78' ' ' ILE . 3.6 mp -119.59 94.76 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 m -172.69 176.99 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.3 p -80.2 -4.02 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -104.82 20.94 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -115.98 142.48 46.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.06 102.15 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.0 mp -74.91 124.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.14 -74.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.55 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.43 -24.43 38.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.51 -35.0 27.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 35' ' ' LEU . 16.2 t -74.95 -44.67 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.7 m -67.62 -27.86 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -48.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -23.07 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 8' ' ' THR . 9.6 mt -69.44 -31.59 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.518 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -56.76 -58.51 16.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -22.65 31.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 m -82.57 -23.69 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.4 mt -51.21 -52.62 42.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -51.22 -30.36 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -85.42 -40.63 16.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.54 -7.62 52.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -94.91 -14.26 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 18.96 8.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -167.73 35.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.79 41.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.4 -167.54 38.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 132.05 21.08 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.348 0.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.03 164.02 20.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.3 Cg_endo -69.78 -35.42 12.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -72.96 -35.3 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.72 ' O ' HG23 ' A' ' 32' ' ' VAL . 11.0 t -64.35 -53.86 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.16 -45.02 84.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.45 -50.65 40.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -37.78 89.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.5 t -56.66 -55.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.613 ' HA ' HG21 ' A' ' 76' ' ' VAL . 13.8 mttt -59.52 -22.85 62.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -38.25 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.5 tt -65.2 -51.52 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.848 HD21 HG22 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -63.73 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.03 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.17 -3.27 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.39 97.09 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -101.67 -35.56 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.85 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.545 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.68 -51.97 0.69 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 63.8 Cg_exo -47.94 -35.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' HB3' HD13 ' A' ' 2' ' ' ILE . 10.5 m-20 -64.4 -45.51 87.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -56.89 -42.95 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.2 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.46 -56.18 21.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.03 -53.55 56.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.1 -36.87 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -66.29 -52.68 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.4 m -64.59 -28.81 69.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.42 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -50.93 -40.82 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -75.21 -27.71 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.85 -51.75 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.02 -15.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.55 -8.74 63.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -110.05 21.76 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.03 117.58 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 60' ' ' THR . 3.4 t -68.47 113.38 5.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.24 53.13 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.49 139.81 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.88 103.11 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -54.31 -29.52 47.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -69.47 -43.18 73.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -73.25 -40.59 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.34 94.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.88 -22.12 56.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.32 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.647 HD21 HG21 ' A' ' 32' ' ' VAL . 2.0 tp -50.14 -57.32 13.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.79 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -27.14 59.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -77.04 -48.33 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.16 3.45 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.35 36.87 93.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.613 HG21 ' HA ' ' A' ' 33' ' ' LYS . 3.3 p -139.64 81.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.08 175.95 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.848 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.37 156.71 40.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 111.171 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.29 23.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -113.29 -169.82 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.661 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -104.87 176.7 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.931 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 81' ' ' LYS . 27.7 mm -132.25 98.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 p -175.68 -173.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 p -80.55 -0.11 36.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -126.88 48.24 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.8 m -117.91 119.96 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -115.43 96.91 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.316 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -76.2 116.08 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -93.58 -75.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -51.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.62 -42.8 78.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -22.46 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.691 ' HA ' HD12 ' A' ' 35' ' ' LEU . 60.6 t -76.62 -49.11 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . 4.8 m -65.01 -14.17 59.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -54.62 -41.38 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -29.21 53.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 8' ' ' THR . 35.7 mt -71.51 -32.2 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.524 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -51.5 -58.63 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.73 -30.96 21.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.533 ' SG ' HD13 ' A' ' 70' ' ' LEU . 1.3 m -83.2 0.93 43.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.93 -57.48 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -58.44 -19.25 34.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.26 -42.76 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.12 -8.33 56.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -94.69 -5.22 46.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.82 12.68 27.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -166.18 35.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 157.47 60.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.48 -168.82 27.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.45 79.52 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.312 0.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 163.44 40.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.53 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.29 -39.52 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.9 t -63.01 -51.95 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.8 m -48.13 -45.07 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.41 -39.96 98.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.41 -40.57 54.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 HD11 ' A' ' 70' ' ' LEU . 53.7 t -54.37 -54.85 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -54.74 -26.14 32.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -41.82 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 7' ' ' VAL . 9.2 tt -65.24 -46.64 79.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' CG2' ' A' ' 78' ' ' ILE . 10.3 mt -70.79 -24.49 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.66 -27.89 40.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -3.25 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 2' ' ' ILE . . . -124.86 117.66 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.574 ' OD1' HG23 ' A' ' 41' ' ' THR . 3.8 p30 -120.26 -33.32 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.574 HG23 ' OD1' ' A' ' 40' ' ' ASN . 26.3 p -85.97 -175.49 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.93 -49.52 0.9 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 0.0 111.117 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.8 Cg_exo -47.98 -48.38 16.5 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HB3' HD13 ' A' ' 2' ' ' ILE . 4.0 m-20 -64.99 -40.8 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -64.24 -28.47 69.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.39 -48.72 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.5 77.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -59.23 -59.17 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.8 -40.23 20.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.76 -43.56 97.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 m -75.11 -28.02 60.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 52' ' ' LEU . 17.4 mt -75.03 -60.38 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.49 -39.9 49.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -75.36 -29.88 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.47 -52.74 19.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.46 60.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.89 -24.59 66.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -94.93 21.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mm -96.4 115.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -54.95 114.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mttt 58.5 50.36 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.39 139.69 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -114.04 105.24 12.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.4 p -52.62 -33.41 46.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.82 -36.78 78.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -72.65 -44.23 62.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.41 -42.29 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.07 -28.15 60.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.68 61.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.74 HD11 HG21 ' A' ' 32' ' ' VAL . 2.2 tp -60.43 -58.68 17.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.83 -32.76 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.45 56.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.17 -28.0 57.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.83 3.84 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.79 8.36 63.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 76' ' ' VAL . 3.0 p -118.62 85.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.69 148.95 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.562 ' CG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.63 157.45 42.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.23 23.08 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -124.66 146.58 49.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -85.88 173.46 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.1 121.98 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -179.36 156.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -66.84 -13.47 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.7 p -109.13 23.06 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -106.42 142.36 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -122.84 104.75 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.792 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.9 119.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -95.28 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.14 60.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.71 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.734 HG13 ' CD1' ' A' ' 35' ' ' LEU . 55.4 t -74.73 -42.76 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.565 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.6 m -65.8 -21.44 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -51.48 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.31 -20.64 58.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.729 HD21 HD23 ' A' ' 52' ' ' LEU . 42.5 mt -70.19 -35.12 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.96 -57.89 15.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.694 0.759 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.76 -23.94 30.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.37 -15.92 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.5 mt -65.46 -46.89 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 m -50.85 -39.66 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -84.13 -37.84 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.7 mt -68.64 -11.41 60.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -94.42 -12.86 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.34 23.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.44 -168.92 24.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.428 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.18 -165.35 36.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.61 34.6 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.501 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.57 163.29 21.12 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.78 -41.93 3.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.15 -36.77 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.738 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.7 t -64.68 -49.82 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 m -52.23 -50.96 60.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.56 82.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.61 82.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 28' ' ' CYS . 58.6 t -54.51 -59.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' HG11 ' A' ' 76' ' ' VAL . 4.3 mttt -58.63 -22.43 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.11 -40.0 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.759 HD13 HD11 ' A' ' 52' ' ' LEU . 8.2 tt -65.69 -41.83 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.74 -37.01 62.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.13 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.13 -13.44 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.66 88.19 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.33 -34.97 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -84.95 -176.38 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.13 -49.69 0.86 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.95 -52.16 8.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.16 -42.54 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -62.76 -31.7 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.01 -49.46 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.59 -58.74 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.792 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.98 -52.98 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 m -48.23 -38.35 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.35 -41.9 93.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.73 -34.68 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.759 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -74.65 -57.12 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -41.23 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 m -75.0 -28.59 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.3 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.17 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.89 -14.99 73.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.12 22.3 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.2 mm -89.81 108.9 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -56.57 122.34 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.13 46.24 21.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.05 139.63 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.7 103.89 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -53.41 -32.19 48.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -70.23 -43.77 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -71.66 -38.21 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.79 89.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.07 55.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.12 -28.36 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.3 tp -54.1 -57.55 17.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -43.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.06 -32.85 81.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -77.64 -34.28 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.82 1.21 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.86 73.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 76' ' ' VAL . 3.0 p -145.17 83.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.39 171.57 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 160.06 43.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.47 23.7 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.436 ' CD2' HG23 ' A' ' 86' ' ' THR . 3.0 t80 -136.82 163.66 30.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -83.33 163.38 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.54 121.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -177.2 174.38 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 p -80.53 -0.39 37.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.8 p -113.92 36.38 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.436 HG23 ' CD2' ' A' ' 80' ' ' TYR . 65.0 m -123.42 127.76 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -129.04 100.76 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.7 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -74.89 119.1 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -95.26 -76.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.81 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.87 -32.81 55.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 -29.95 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.766 HG13 HD11 ' A' ' 35' ' ' LEU . 21.3 t -78.11 -46.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.562 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.7 m -64.77 -27.17 68.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.28 -47.42 84.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.16 -22.07 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 8' ' ' THR . 4.6 mt -70.0 -34.42 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.15 -58.21 14.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.75 -23.69 30.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 m -83.38 -16.25 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -63.49 -51.04 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -51.36 -38.78 55.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -79.58 -41.03 28.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.6 -12.12 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -94.59 -12.07 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.37 0.27 23.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.71 -168.84 21.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.23 42.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.94 -169.81 39.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.09 18.24 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.345 0.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 162.98 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.84 8.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -71.04 -35.81 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.5 t -64.17 -55.05 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.09 -47.28 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.99 -50.94 36.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.64 -38.52 93.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 28' ' ' CYS . 87.9 t -54.77 -55.75 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.664 ' HG3' HG11 ' A' ' 76' ' ' VAL . 20.0 mttt -59.91 -25.34 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -35.58 59.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.766 HD11 HG13 ' A' ' 7' ' ' VAL . 7.2 tt -65.1 -46.31 81.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD12 ' CG2' ' A' ' 76' ' ' VAL . 7.1 mt -73.68 -34.19 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -24.98 58.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -79.21 -11.74 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 2' ' ' ILE . . . -124.67 123.8 40.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -118.86 -37.55 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -87.57 -172.48 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.508 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -80.99 -51.42 0.92 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.97 -47.97 17.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -44.65 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -63.25 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -67.2 -42.87 83.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.13 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -56.96 -53.2 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.84 -38.39 15.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.53 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.4 m -72.54 -32.97 66.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 52' ' ' LEU . 14.5 mt -74.82 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -41.28 55.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -75.3 -27.71 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.94 -55.9 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.13 -14.68 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -15.83 49.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 1.6 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.433 HG21 HD12 ' A' ' 62' ' ' LEU . 34.0 mt -84.59 107.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.9 131.67 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 54.65 45.29 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.433 HD12 HG21 ' A' ' 59' ' ' ILE . 5.5 tp -51.51 139.61 19.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -103.39 101.21 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -54.2 -31.74 53.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.58 -45.87 81.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.04 -42.01 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.65 94.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.44 -22.42 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.0 -34.07 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -50.08 -57.58 12.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.72 -49.21 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.52 -27.13 58.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -76.95 -47.97 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.09 3.35 35.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.39 41.11 99.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.664 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.4 p -145.1 81.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.32 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -111.79 156.42 41.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 111.132 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -115.05 -176.22 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -100.34 162.07 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 78' ' ' ILE . 2.6 mp -112.89 107.29 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 p -176.47 155.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.7 t -69.71 -10.56 58.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -111.55 33.32 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -117.21 143.51 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -112.48 106.81 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 1.12 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.4 mp -79.46 146.8 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -143.05 -70.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.6 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.86 -34.37 57.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.13 -24.44 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.659 HG13 ' CD1' ' A' ' 35' ' ' LEU . 11.3 t -76.27 -42.03 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 11' ' ' LEU . 21.3 m -68.85 -25.38 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -52.13 59.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.21 -20.49 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 8' ' ' THR . 15.1 mt -70.25 -35.21 73.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.99 -57.84 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.744 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.78 -23.86 30.25 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.0 m -83.39 -16.02 47.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.95 -48.11 75.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -50.88 -37.05 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -85.2 -37.17 20.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 18' ' ' LEU . 16.1 mt -71.07 -9.57 58.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -94.76 -13.75 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 10.44 20.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.26 -164.95 40.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.26 39.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.54 -165.35 34.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.67 39.97 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.348 0.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.9 162.87 26.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 52.9 Cg_endo -69.8 -41.25 4.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.282 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.734 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -65.33 -50.51 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -52.75 -50.34 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -45.7 73.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.45 87.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.9 t -54.7 -59.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -55.81 -24.7 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.72 -43.43 65.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.27 -31.78 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 76' ' ' VAL . 18.6 mt -85.73 -31.21 22.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -30.72 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.98 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.79 98.71 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -99.75 -30.92 11.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 p -95.3 -172.18 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.73 -49.62 0.92 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.556 0.693 . . . . 0.0 111.169 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.2 Cg_exo -47.98 -46.03 23.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.66 -50.05 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtm-85 -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.87 -48.77 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -50.48 72.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.12 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -62.0 -54.47 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.16 -35.54 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.84 -56.17 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -27.77 69.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.57 -53.94 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -41.32 56.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -73.21 -32.57 64.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.91 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -22.4 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.21 -17.44 61.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 p -100.05 19.7 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.46 113.7 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.76 114.06 1.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 58.49 52.36 7.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.67 HD21 ' OG ' ' A' ' 83' ' ' SER . 5.2 tp -51.26 139.52 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.39 104.42 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -53.3 -36.44 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.73 -43.99 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -68.07 -40.66 82.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.54 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.4 -27.53 56.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -72.69 -27.54 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -56.09 -58.02 18.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -34.39 14.64 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.96 -46.8 70.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.4 mptp? -75.63 -20.94 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.3 m -83.52 2.67 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.72 72.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.603 HG21 HD12 ' A' ' 36' ' ' LEU . 2.6 p -145.08 88.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.76 139.17 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -113.84 157.14 42.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.148 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.71 37.71 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -115.15 177.52 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -104.96 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 78' ' ' ILE . 2.7 mp -126.88 100.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.67 ' OG ' HD21 ' A' ' 62' ' ' LEU . 2.4 m -173.1 -179.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 t -77.83 -3.05 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 p -121.96 45.97 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -115.94 141.89 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -116.53 94.3 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.853 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.94 117.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -95.52 -75.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -42.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.42 58.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.88 -26.64 54.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.736 HG13 ' CD1' ' A' ' 35' ' ' LEU . 56.4 t -74.76 -35.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.68 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.0 m -73.92 -23.67 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -60.48 -47.35 86.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.77 -22.83 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 8' ' ' THR . 25.6 mt -69.8 -34.88 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.52 -58.37 13.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.3 Cg_endo -69.68 -23.91 30.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.49 -14.98 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.2 -47.85 75.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -50.68 -38.23 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.28 -34.61 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.4 mt -72.88 -8.57 56.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -95.51 -13.74 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 10.2 18.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.12 -164.47 40.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.24 39.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.91 -166.35 35.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 136.49 39.07 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.339 0.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.428 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.83 164.47 16.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.22 -34.2 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.7 t -65.64 -51.84 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 m -51.7 -49.22 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.51 -45.55 83.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.54 92.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 28' ' ' CYS . 61.3 t -54.58 -58.61 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -58.04 -23.99 56.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.14 -40.68 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.807 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.7 tt -65.81 -40.24 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD13 ' CG2' ' A' ' 76' ' ' VAL . 2.2 mt -76.2 -37.26 58.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -24.16 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -79.92 -12.94 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.59 86.75 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.75 -33.89 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 p -88.22 -173.01 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.512 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.52 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.564 0.697 . . . . 0.0 111.084 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 66.9 Cg_exo -48.02 -49.03 14.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 -45.79 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -50.98 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.4 -54.3 45.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.853 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -57.85 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.1 -38.71 18.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.15 -41.67 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.8 m -72.52 -34.34 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.764 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -74.1 -57.69 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -40.73 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 m -74.55 -28.76 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -54.49 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.87 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.22 -13.44 57.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -105.81 22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.01 111.19 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.25 122.9 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mttm 56.77 44.95 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.11 139.59 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.23 103.84 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 p -53.46 -34.47 58.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -69.51 -39.24 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.36 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.39 -27.33 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.46 -24.83 60.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -58.62 -57.54 25.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.68 0.753 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -37.27 9.44 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.97 83.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -76.61 -29.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.4 m -83.2 -5.41 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.0 -5.58 82.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.514 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.8 p -106.32 86.47 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.333 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -88.67 148.02 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.403 ' CG2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.71 157.11 40.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.83 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.23 160.91 19.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.95 156.61 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.2 mm -90.12 106.14 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -164.8 160.57 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.4 t -74.49 -6.38 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 p -99.83 -24.55 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -51.99 142.96 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -115.41 103.6 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 39' ' ' ALA . 5.3 mp -74.78 140.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -95.72 -75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -40.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.15 -37.36 71.87 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -25.18 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 HD11 ' A' ' 11' ' ' LEU . 16.8 t -74.79 -44.71 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.507 ' HA ' HD12 ' A' ' 11' ' ' LEU . 6.3 m -64.92 -25.33 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 m -65.37 -52.57 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -20.74 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 8' ' ' THR . 18.8 mt -70.34 -35.19 73.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.91 -57.84 15.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -24.08 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.23 -15.83 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.4 mt -65.52 -47.61 75.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -50.25 -40.62 48.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -83.03 -38.09 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.3 mt -67.64 -12.31 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 p -94.2 -12.47 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.46 -1.42 25.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -167.32 21.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 138.67 38.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.77 -166.5 36.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 136.61 39.76 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.295 0.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.78 164.37 16.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 0.0 110.83 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.75 -43.63 2.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -64.86 -50.94 64.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.9 m -51.85 -50.55 60.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.87 -44.14 81.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.91 -43.76 81.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 28' ' ' CYS . 46.8 t -54.2 -60.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.11 -23.9 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.05 -43.46 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.708 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.81 -31.44 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 76' ' ' VAL . 20.8 mt -85.07 -34.98 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.92 -33.27 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.24 -1.71 53.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.721 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.7 107.53 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -115.94 -25.52 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -95.35 -173.14 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.27 0.75 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.97 -47.34 19.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' HB3' HD12 ' A' ' 2' ' ' ILE . 2.8 m-20 -64.74 -46.72 81.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.96 -28.34 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -68.3 -51.23 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.96 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.708 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -62.51 -55.08 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.02 -35.01 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.66 -61.16 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.3 m -63.98 -23.79 67.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.97 -62.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -38.82 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 m -75.2 -30.19 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' CYS . . . -69.54 -54.35 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -24.08 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.6 -18.73 52.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -99.84 21.57 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.431 HD11 ' CD2' ' A' ' 15' ' ' LEU . 37.0 mm -94.69 109.75 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -55.55 115.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttm 58.25 53.52 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.36 139.46 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -108.94 103.73 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -53.66 -35.23 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.72 -42.76 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -69.5 -41.27 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -39.43 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.33 -28.33 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.62 -25.27 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.9 tp -57.05 -57.95 21.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.5 Cg_endo -69.81 -40.93 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.628 2.218 . . . . 0.0 112.316 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.76 -37.79 95.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.88 -27.69 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.4 m -83.55 2.79 35.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.76 40.7 57.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.716 HG21 HD12 ' A' ' 36' ' ' LEU . 11.5 p -145.1 140.18 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -125.28 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.522 HG22 HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.09 153.77 44.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -19.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -124.97 -176.2 3.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -104.87 173.64 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.8 115.82 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -179.43 158.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.2 t -72.2 -8.66 55.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.7 p -110.88 37.59 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -123.81 143.2 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -112.77 98.27 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.979 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.93 116.33 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -95.71 -75.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.8 -38.26 82.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.45 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.634 HG13 ' CD1' ' A' ' 35' ' ' LEU . 20.1 t -74.69 -42.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.681 ' HA ' HD12 ' A' ' 11' ' ' LEU . 28.4 m -65.42 -26.75 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.89 -51.84 65.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.409 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 1.5 m-20 -76.3 -14.48 60.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 8' ' ' THR . 16.1 mt -73.57 -37.61 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.614 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.19 -54.15 53.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.0 Cg_endo -69.8 -27.31 26.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.358 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -82.45 -16.11 50.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.2 mt -65.32 -48.03 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -50.72 -37.25 40.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.3 -36.96 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 18' ' ' LEU . 16.8 mt -71.02 -9.62 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -94.67 -13.8 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.73 6.72 26.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.91 -164.07 37.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.22 39.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.13 -165.41 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.71 45.42 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.352 0.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.6 p -63.79 162.69 26.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.84 -42.35 3.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -35.76 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.729 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.8 t -65.14 -50.75 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -51.83 -50.74 60.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 -45.36 78.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.62 87.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 28' ' ' CYS . 65.8 t -54.79 -59.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.091 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -57.71 -22.92 49.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -40.48 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.847 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.26 -36.67 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 76' ' ' VAL . 22.7 mt -82.63 -25.41 33.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.84 -37.08 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.22 -3.49 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.7 78.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.57 -38.08 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 p -85.33 -173.83 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.01 -49.62 0.88 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -47.89 -46.76 20.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.391 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.74 -47.94 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.76 -49.89 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.77 -57.5 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.979 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.23 -53.68 52.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 m -47.94 -40.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -63.32 -42.02 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.9 m -71.41 -37.41 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.627 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -69.57 -52.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -50.79 -41.93 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -71.31 -30.89 66.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.65 -57.84 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.13 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.66 -15.79 66.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.561 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -103.66 22.11 14.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.53 113.16 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.17 118.42 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttt 58.43 47.67 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.79 139.7 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.78 103.91 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 p -53.37 -34.72 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.6 -43.16 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.13 -40.57 74.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.24 79.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.52 56.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.7 -57.96 20.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -41.49 4.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.84 93.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -77.32 -28.09 53.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.24 2.4 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 40.1 46.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.716 HG21 HD12 ' A' ' 36' ' ' LEU . 12.5 p -145.3 140.71 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -130.87 145.61 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.27 157.9 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.31 35.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.8 168.31 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 168.85 14.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.1 mm -110.18 94.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -166.91 -177.01 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 0.23 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -111.9 26.19 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -102.86 142.05 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.34 94.95 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.717 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.94 119.29 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -95.41 -75.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -41.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.46 -38.06 68.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.31 -28.98 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.736 HG13 ' CD1' ' A' ' 35' ' ' LEU . 40.4 t -74.71 -41.31 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.698 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.7 m -67.99 -20.7 65.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -52.37 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.17 -20.79 59.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.759 HD21 HD23 ' A' ' 52' ' ' LEU . 32.6 mt -70.11 -35.03 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.536 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.01 -57.99 15.48 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.79 -23.8 30.26 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 m -83.61 -15.47 48.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.3 mt -65.12 -48.07 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.4 m -50.24 -37.8 37.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.18 -38.59 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.87 -12.17 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 p -94.27 -12.2 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.02 -1.32 24.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.533 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -168.53 23.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.05 39.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.41 -166.55 36.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.97 31.64 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.349 0.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.432 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.76 164.52 16.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.759 . . . . 0.0 110.824 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.3 Cg_endo -69.73 -42.71 3.19 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.6 -35.28 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.731 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.2 t -64.99 -50.89 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -52.6 -50.6 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.68 -46.38 66.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.44 -40.12 91.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 28' ' ' CYS . 96.3 t -55.6 -57.83 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HG3' HG11 ' A' ' 76' ' ' VAL . 19.8 mttt -57.64 -23.44 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -41.07 63.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.37 -37.91 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.2 mt -79.18 -34.33 43.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.43 61.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -77.7 -9.64 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 82.14 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -80.39 -38.26 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.99 -173.51 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.12 -49.68 0.87 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.623 0.725 . . . . 0.0 111.143 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.1 Cg_exo -47.94 -49.07 14.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.61 -45.64 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -63.26 -26.82 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -50.51 45.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.27 46.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -57.69 -54.19 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.89 -38.65 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.35 -42.41 92.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -71.89 -32.93 67.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.759 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.51 -54.66 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.63 -42.46 56.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 m -75.13 -28.3 60.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.44 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.26 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.1 -20.43 42.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -98.31 21.84 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 15' ' ' LEU . 38.9 mm -97.54 116.0 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 60' ' ' THR . 2.4 t -59.89 111.01 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt 58.74 57.89 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.18 139.56 18.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -109.03 103.98 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -53.52 -35.51 60.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.47 -43.53 85.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -68.28 -40.55 81.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.13 -27.16 56.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.17 -29.24 62.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.78 -58.07 14.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -37.31 9.33 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.03 -47.15 91.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.8 mptp? -75.5 -22.44 57.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.5 m -83.64 2.2 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 27.65 73.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -145.02 85.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -89.58 148.73 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.92 156.53 41.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -124.92 167.28 14.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -99.58 175.81 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.66 124.83 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -179.41 159.68 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 p -68.51 -11.95 60.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.8 p -110.6 22.57 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.5 m -104.85 142.75 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -120.46 106.98 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.42 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -73.42 -22.32 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -66.63 -21.53 66.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 18.73 11.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 88' ' ' CYS . 93.6 t -89.03 120.01 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -85.1 115.06 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.1 mp -75.04 125.37 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -95.18 -74.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.69 -37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.49 -34.36 68.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.18 72.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.712 HG13 ' CD1' ' A' ' 35' ' ' LEU . 21.0 t -74.94 -42.68 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 11' ' ' LEU . 33.7 m -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.17 -52.28 59.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.16 -20.08 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 8' ' ' THR . 18.8 mt -70.04 -35.63 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.535 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.01 -57.89 15.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.72 -23.56 30.83 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.9 m -83.38 -16.4 46.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.22 -46.53 83.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -50.87 -39.85 54.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -84.2 -34.19 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 18' ' ' LEU . 15.2 mt -73.14 -8.23 54.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 p -95.06 -14.66 24.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.47 6.19 21.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.1 -165.61 40.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 139.18 39.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.82 -166.09 36.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 136.93 41.38 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.313 0.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.515 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.52 163.16 21.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.847 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.8 -41.58 4.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -66.04 -35.44 80.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.724 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.5 t -65.5 -51.53 59.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -51.92 -49.04 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -45.21 85.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.49 -39.55 86.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 28' ' ' CYS . 74.1 t -55.78 -56.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -57.74 -24.29 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -72.95 -40.6 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.712 ' CD1' HG13 ' A' ' 7' ' ' VAL . 6.9 tt -65.3 -38.22 89.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.703 HD21 HG22 ' A' ' 78' ' ' ILE . 3.8 mt -73.43 -39.9 64.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -23.67 58.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -78.48 -16.65 57.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.8 112.55 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -110.16 -39.28 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.0 p -84.96 -172.66 4.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.39 -49.84 1.38 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.583 0.706 . . . . 0.0 111.129 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.96 -50.21 12.27 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.63 -43.4 93.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -64.27 -26.84 68.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -69.97 -51.86 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.24 -57.29 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -51.72 -55.25 20.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.92 -49.17 30.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -57.07 -48.18 79.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 m -64.82 -29.87 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.16 -56.98 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -50.82 -41.85 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -75.1 -27.08 59.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.03 -51.19 19.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.35 -14.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.75 -17.67 43.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.8 p -92.12 1.74 57.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.841 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -84.07 115.36 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.18 122.24 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt 58.5 52.85 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.08 139.52 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -105.89 103.34 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.9 p -53.47 -36.88 62.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -65.38 -45.99 81.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -66.88 -39.0 87.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.73 -39.01 79.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.34 56.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.72 -25.08 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.23 -57.26 27.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.2 Cg_endo -69.76 -38.82 7.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.64 -36.76 91.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.89 -28.52 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.52 1.98 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.21 17.67 70.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.0 p -128.19 119.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.29 153.68 17.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.703 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.58 153.38 44.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -26.14 27.81 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.734 ' CE1' HG21 ' A' ' 91' ' ' VAL . 13.1 m-85 -124.78 -170.29 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -103.65 175.73 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.41 94.88 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 m -165.97 -176.68 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -80.66 0.29 34.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -125.67 50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.8 m -121.25 136.42 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.59 94.97 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -80.22 -12.18 59.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -80.14 -35.41 36.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 p -94.9 44.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.734 HG21 ' CE1' ' A' ' 80' ' ' TYR . 89.6 t -95.03 121.91 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -100.22 114.97 28.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.761 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.05 119.58 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -95.51 -74.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.97 -35.18 74.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.98 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.714 HG13 ' CD1' ' A' ' 35' ' ' LEU . 21.3 t -74.9 -39.58 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.551 ' HA ' HD12 ' A' ' 11' ' ' LEU . 25.5 m -69.66 -24.04 63.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.53 -52.15 59.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.04 -21.09 59.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 52' ' ' LEU . 17.8 mt -69.98 -34.67 73.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.539 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.23 -58.06 15.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.628 0.728 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.2 Cg_endo -69.78 -23.57 30.55 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.38 -17.13 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.5 mt -62.71 -50.14 72.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.3 m -50.38 -34.91 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -85.24 -37.16 20.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 18' ' ' LEU . 24.1 mt -73.43 -7.12 50.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -94.6 -15.19 24.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.46 11.77 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.44 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.51 -164.09 39.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.13 39.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.58 -164.89 34.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.36 43.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 0.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.77 162.88 24.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.76 -41.72 4.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -65.2 -33.86 77.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.736 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.4 t -67.43 -50.09 60.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.37 -49.12 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.19 -45.5 92.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.05 -40.77 93.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 28' ' ' CYS . 95.0 t -55.25 -58.34 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HG3' HG11 ' A' ' 76' ' ' VAL . 8.2 mtpt -57.33 -23.6 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -73.55 -41.1 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.821 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.06 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.16 -32.52 38.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.95 -26.95 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -84.46 -2.94 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.82 87.47 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.549 ' OD1' HG23 ' A' ' 41' ' ' THR . 2.1 p30 -86.89 -39.35 15.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' OD1' ' A' ' 40' ' ' ASN . 33.0 p -86.62 -172.91 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.1 -49.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.3 Cg_exo -48.04 -43.91 29.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HB3' HD13 ' A' ' 2' ' ' ILE . 7.9 m-20 -64.67 -42.84 95.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -64.53 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -52.36 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -61.82 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.821 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -51.56 -53.8 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.7 m -47.84 -42.62 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.55 -45.54 93.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 65.2 m -68.62 -31.93 71.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -72.33 -54.97 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -41.33 55.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -73.62 -29.03 62.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -55.05 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -20.03 66.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.65 -18.39 45.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -100.26 21.98 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.491 HD11 ' CD2' ' A' ' 15' ' ' LEU . 40.1 mm -96.82 118.74 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 60' ' ' THR . 2.8 t -63.36 111.5 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.84 58.09 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -51.11 139.49 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -108.13 103.62 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -53.49 -35.49 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -66.35 -43.26 86.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -68.59 -40.51 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.4 78.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.95 57.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.55 -24.96 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.054 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.2 tp -57.7 -57.7 23.61 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.8 -39.34 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.34 92.07 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -76.76 -29.31 56.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 91.3 m -83.58 2.13 38.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.73 76.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 76' ' ' VAL . 2.8 p -129.51 85.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -89.59 144.19 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.83 156.45 41.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.16 25.42 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -124.91 169.81 11.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -102.58 177.94 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.51 112.99 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.5 p -175.12 -171.28 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 58.1 p -80.73 0.13 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 65.7 p -124.29 30.43 6.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -93.55 141.86 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -134.34 94.87 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.439 ' HA ' HG23 ' A' ' 91' ' ' VAL . 76.8 m -76.59 -23.63 53.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.17 -21.9 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.76 18.11 12.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.138 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 88' ' ' CYS . 98.8 t -95.04 130.73 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -97.66 102.03 13.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.003 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -82.16 147.27 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -143.08 -71.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.41 -33.71 66.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.04 -25.23 27.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.676 HG13 ' CD1' ' A' ' 35' ' ' LEU . 17.5 t -75.02 -42.24 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.675 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.5 m -69.3 -23.22 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -51.52 63.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.35 -20.24 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 8' ' ' THR . 20.7 mt -70.3 -35.37 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.26 -57.71 17.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -23.95 30.37 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m -83.39 -16.06 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.4 mt -65.07 -47.8 76.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -50.7 -38.41 46.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.01 -34.32 22.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.26 -8.29 55.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.97 -14.47 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 10.59 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.12 -163.95 39.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.37 40.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 0.0 112.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.02 -166.53 35.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 137.67 45.05 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.35 0.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.427 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.08 164.22 19.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.715 0.769 . . . . 0.0 110.823 -179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.9 Cg_endo -69.72 -43.21 2.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -65.6 -34.08 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 32' ' ' VAL . 7.5 t -65.91 -50.85 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.1 m -52.89 -50.42 63.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.64 -44.79 79.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.32 84.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.1 t -54.75 -58.67 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -56.2 -25.01 45.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -71.14 -42.94 68.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.824 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.25 -33.85 76.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD21 HG21 ' A' ' 78' ' ' ILE . 16.7 mt -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -36.64 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.03 -7.5 53.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.57 88.05 2.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.31 -37.44 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -86.63 -172.61 4.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.96 -49.63 0.89 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.567 0.699 . . . . 0.0 111.17 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -48.0 -47.87 17.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -47.58 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -62.45 -26.24 68.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -70.07 -51.12 34.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.01 -50.97 67.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.003 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -60.76 -56.39 21.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.4 m -48.09 -38.43 17.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.92 -51.73 68.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.7 m -69.33 -24.9 63.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -75.1 -59.55 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.15 55.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t -75.12 -27.91 60.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' CYS . . . -69.12 -49.98 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -14.47 60.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -17.14 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 m -92.91 2.58 56.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.4 mt -84.0 115.01 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -74.32 125.64 28.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt 58.41 47.99 12.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.81 139.43 16.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.45 103.45 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 p -53.39 -36.34 61.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -65.83 -45.12 83.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -67.3 -39.51 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.57 -39.48 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.08 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.65 -24.82 60.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.6 tp -58.59 -57.5 26.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -37.68 8.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.85 -36.54 87.01 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.58 -28.47 56.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.6 m -83.29 -5.35 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.99 -5.64 82.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 76' ' ' VAL . 2.7 p -106.63 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.331 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -88.98 143.98 26.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.478 HG21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -116.87 158.21 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 111.164 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.58 37.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.359 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE2' HG22 ' A' ' 91' ' ' VAL . 78.3 m-85 -124.87 151.34 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 170.7 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -110.59 102.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 p -171.51 -172.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.1 p -80.55 -0.34 37.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.6 p -117.96 41.5 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -122.05 130.96 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -111.63 94.88 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.412 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -77.73 -4.91 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -77.26 -22.16 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.93 18.46 14.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.77 HG22 ' CE2' ' A' ' 80' ' ' TYR . 93.3 t -76.87 128.49 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -93.41 107.64 19.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.788 0.328 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.876 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.05 114.91 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -95.16 -75.26 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.86 -44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.01 82.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -27.38 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.741 HG13 ' CD1' ' A' ' 35' ' ' LEU . 44.6 t -74.9 -43.12 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.707 ' HA ' HD12 ' A' ' 11' ' ' LEU . 28.0 m -66.77 -21.75 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -51.74 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.16 -20.07 59.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 8' ' ' THR . 38.4 mt -70.27 -35.25 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.28 -57.7 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.5 Cg_endo -69.76 -23.94 30.25 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 m -83.56 -15.76 48.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -65.23 -47.5 76.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -50.46 -38.57 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.17 -35.89 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 18' ' ' LEU . 13.0 mt -69.19 -11.51 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -94.6 -12.72 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.2 -1.12 23.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.38 -167.53 21.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 139.33 40.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.713 2.275 . . . . 0.0 112.358 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.19 -166.71 36.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 136.23 37.77 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.327 0.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.75 164.38 16.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.736 0.779 . . . . 0.0 110.804 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.4 Cg_endo -69.74 -43.59 2.58 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -65.51 -35.11 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.3 t -64.81 -51.47 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 62.0 m -52.32 -50.74 61.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.04 -47.03 60.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.87 93.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 28' ' ' CYS . 94.0 t -54.98 -58.48 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HG3' HG11 ' A' ' 76' ' ' VAL . 16.7 mttt -57.7 -23.7 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -40.82 64.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.821 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.5 tt -65.21 -38.19 89.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.31 -26.99 38.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.39 -35.1 47.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.09 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.66 81.0 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -80.27 -35.69 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.8 p -85.11 -175.21 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.04 -49.61 0.88 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.159 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.1 Cg_exo -47.98 -49.7 13.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.64 -43.3 94.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -63.53 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.84 -44.15 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.86 -53.72 54.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.876 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -57.64 -53.95 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.74 -37.9 14.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -65.09 -44.16 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 20.4 m -71.57 -31.54 67.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.687 ' CD2' HD21 ' A' ' 11' ' ' LEU . 13.0 mt -75.08 -57.47 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -42.33 54.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -75.51 -27.3 58.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -69.71 -46.37 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.36 -14.46 60.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.17 -18.26 41.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -91.42 1.46 57.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.903 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.422 HD12 HD13 ' A' ' 62' ' ' LEU . 41.9 mt -84.17 116.12 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.12 123.5 24.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttt 58.44 49.87 10.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.422 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.58 139.49 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -107.85 103.86 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 p -53.24 -35.5 60.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.15 -44.49 83.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -67.66 -39.55 84.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.46 81.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.08 -27.12 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.23 -29.21 62.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -53.86 -58.02 15.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.575 0.703 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.78 -37.38 9.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.93 -47.21 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.9 mptp? -75.42 -22.31 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.8 m -83.57 1.86 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.63 74.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.497 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.9 p -145.2 84.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -89.48 145.26 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.0 156.43 41.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.627 0.727 . . . . 0.0 111.151 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -15.93 37.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -114.81 166.74 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -102.21 173.37 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.16 97.65 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -149.88 158.68 44.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.69 -12.87 61.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.9 p -113.63 24.44 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.0 m -104.0 142.82 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -118.83 104.87 10.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.413 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -73.01 -24.48 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -22.09 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.85 18.09 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 88' ' ' CYS . 95.1 t -95.08 134.5 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -91.87 113.34 25.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.323 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.661 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.99 119.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -95.18 -75.47 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.14 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.96 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.22 -31.15 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.721 HG13 HD11 ' A' ' 35' ' ' LEU . 21.2 t -74.79 -43.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.49 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.2 m -67.79 -22.18 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.71 -53.28 42.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.16 -21.84 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.72 HD21 HD23 ' A' ' 52' ' ' LEU . 22.6 mt -69.8 -34.3 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.2 -58.33 14.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.1 Cg_endo -69.76 -23.5 30.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -83.17 -17.15 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.5 mt -62.78 -47.29 84.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -50.5 -38.41 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -85.07 -34.18 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.5 -8.97 57.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -94.88 -14.11 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.73 7.18 22.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.63 -164.84 39.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.35 40.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.727 2.285 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.35 -166.6 35.92 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 137.29 43.0 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.338 0.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.92 164.29 18.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.76 -45.87 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.84 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.5 t -65.78 -51.86 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.72 -50.42 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -46.42 71.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.549 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.78 93.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 28' ' ' CYS . 73.5 t -55.38 -58.02 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.175 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.38 -23.59 50.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -73.21 -41.37 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.721 HD11 HG13 ' A' ' 7' ' ' VAL . 7.3 tt -64.72 -38.84 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 76' ' ' VAL . 9.9 mt -79.83 -25.42 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -28.54 44.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.469 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -83.71 -3.85 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.93 115.61 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -116.9 -38.95 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -86.9 -171.93 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.517 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.42 -49.73 1.16 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.612 0.72 . . . . 0.0 111.159 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.3 Cg_exo -47.98 -44.93 26.43 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.641 2.228 . . . . 0.0 112.376 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.81 -47.14 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -61.64 -28.52 69.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.5 -52.28 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.98 -58.3 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -53.84 -52.46 60.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -47.94 -40.54 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.1 -48.46 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.7 -36.87 85.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.72 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -70.26 -53.05 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -50.83 -42.71 58.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -71.79 -28.93 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.6 -56.81 4.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -25.51 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.61 -18.13 50.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.427 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.1 m -100.52 21.78 12.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 15' ' ' LEU . 36.5 mm -94.4 114.26 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.81 112.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.1 mttt 58.72 55.41 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.99 139.45 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.28 104.19 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.8 p -53.36 -35.37 60.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.57 -42.14 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.98 -40.87 78.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.31 79.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.55 58.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -73.04 -28.15 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -54.58 -58.09 15.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.77 -37.24 9.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.319 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.69 -46.36 92.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.438 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -75.29 -22.83 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.66 2.21 38.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.94 41.04 88.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 36' ' ' LEU . 11.8 p -145.21 136.07 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.59 137.63 50.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.39 149.68 40.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.53 30.65 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.633 ' CE1' HG21 ' A' ' 91' ' ' VAL . 3.6 m-85 -124.65 -169.85 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -102.81 176.87 5.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.99 102.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 p -176.29 178.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.8 t -80.5 -0.01 35.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -121.27 48.83 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.3 m -118.52 141.06 48.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -126.01 93.92 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.5 m -80.71 -11.69 59.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.13 -36.89 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.0 p -113.8 54.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 80' ' ' TYR . 95.0 t -74.72 130.19 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -93.87 96.85 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.65 121.43 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -95.16 -75.09 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.72 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.07 -32.08 56.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.08 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.636 HG13 ' CD1' ' A' ' 35' ' ' LEU . 20.3 t -75.49 -46.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.653 ' HA ' HD12 ' A' ' 11' ' ' LEU . 38.9 m -65.03 -24.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -64.61 -52.69 56.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.22 -20.09 59.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 8' ' ' THR . 20.7 mt -70.18 -35.65 74.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.544 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.92 -57.87 15.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.703 0.763 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.75 -23.61 30.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 m -83.53 -15.82 47.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.6 mt -65.02 -47.0 79.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 m -50.55 -40.89 53.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -83.29 -34.85 25.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.18 -10.58 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -94.57 -13.51 25.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.4 -0.81 23.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.69 -168.12 24.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 138.85 38.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.05 -165.12 36.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.07 41.96 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.347 0.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.514 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.74 163.13 23.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.8 -41.01 4.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -66.32 -36.31 82.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.1 t -64.9 -51.52 61.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.2 m -51.82 -49.26 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.07 84.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.62 -39.55 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 28' ' ' CYS . 63.9 t -55.7 -56.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -57.5 -24.74 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -72.62 -40.66 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' CD1' HG13 ' A' ' 7' ' ' VAL . 6.8 tt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.704 HD11 ' CG2' ' A' ' 78' ' ' ILE . 6.1 mt -78.41 -36.69 45.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.06 58.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.01 -5.37 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 105.95 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.483 ' OD1' HG23 ' A' ' 41' ' ' THR . 2.7 p30 -105.44 -39.89 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' OD1' ' A' ' 40' ' ' ASN . 28.9 p -86.31 -173.33 4.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.519 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.07 -49.65 1.02 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.4 Cg_exo -48.03 -40.32 33.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' HB3' HD13 ' A' ' 2' ' ' ILE . 9.6 m-20 -64.92 -52.33 56.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -25.66 61.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -70.24 -50.67 37.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.71 11.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -51.72 -54.38 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -47.71 -47.75 29.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -56.68 -39.91 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.9 m -75.05 -29.47 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -74.27 -57.37 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -50.71 -41.3 55.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -75.04 -27.86 60.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' CB ' HD13 ' A' ' 11' ' ' LEU . . . -73.3 -52.7 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.2 -14.67 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.63 -17.88 42.95 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.5 t -91.81 1.82 56.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -84.16 109.55 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 t -71.82 123.9 23.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.49 51.82 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.98 139.52 17.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.03 102.91 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.3 p -53.31 -33.94 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -67.97 -44.07 77.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.32 -39.72 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.24 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.54 56.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.74 -25.35 60.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.76 -57.27 26.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.77 -39.71 6.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.39 92.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.91 -28.81 55.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.7 m -83.46 1.9 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.05 10.38 65.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.0 p -120.85 119.64 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -97.39 156.04 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.704 ' CG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.7 153.83 44.2 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 111.115 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.06 22.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.678 ' CE1' HG21 ' A' ' 91' ' ' VAL . 10.2 m-85 -125.01 -174.52 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.53 177.0 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.14 95.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -161.35 -174.68 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -80.43 -0.23 36.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 42.51 3.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 m -109.88 119.94 40.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.61 94.42 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.722 ' O ' HG23 ' A' ' 91' ' ' VAL . 63.0 m -80.89 -42.98 20.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -53.85 -32.69 53.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -128.87 65.88 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 88' ' ' CYS . 99.1 t -73.86 120.15 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -86.97 111.61 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.716 0.293 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.49 119.12 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -95.17 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.62 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.37 -34.55 63.5 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.09 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.694 HG13 HD11 ' A' ' 35' ' ' LEU . 22.7 t -74.78 -45.49 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.659 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -66.9 -23.72 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.202 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.3 -51.45 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.41 -20.71 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 8' ' ' THR . 15.7 mt -70.12 -34.97 73.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.21 -57.93 16.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.4 Cg_endo -69.77 -23.71 30.43 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.43 -15.95 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.13 -46.36 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -50.69 -42.48 56.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.72 -38.35 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.04 -12.98 61.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -94.39 -11.82 29.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.19 -1.85 25.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.24 -166.5 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 139.09 39.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.44 -166.86 36.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.42 38.65 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.323 0.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.444 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.89 164.42 17.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.72 -45.47 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.365 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -64.14 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 t -64.76 -50.26 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.5 m -52.65 -52.42 55.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.43 -46.01 58.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.39 91.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 28' ' ' CYS . 98.7 t -54.96 -59.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -58.26 -22.37 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.09 -40.06 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.773 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.66 -38.94 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.924 HD21 HG22 ' A' ' 78' ' ' ILE . 5.5 mt -76.66 -38.03 55.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -22.92 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.14 -14.09 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.76 92.59 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -88.53 -36.01 16.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 p -86.42 -173.56 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.0 -49.62 0.89 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -48.03 -50.39 11.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.347 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.62 -43.74 92.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -63.69 -27.42 69.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -71.7 -44.09 64.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.88 63.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.773 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -57.94 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.76 -40.55 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -62.24 -44.03 97.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 35.8 m -72.24 -30.57 65.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -73.18 -54.74 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -43.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t -75.15 -25.83 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.84 -52.03 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.21 -14.57 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -17.08 46.52 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.4 p -92.57 1.44 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.349 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.502 HD12 HD13 ' A' ' 62' ' ' LEU . 38.6 mt -84.22 101.48 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 t -65.16 129.13 38.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 mttp 55.06 46.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.502 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -51.18 139.38 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -107.56 103.71 13.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.5 p -53.36 -30.1 37.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -67.85 -48.24 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.68 -39.02 80.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 82' ' ' ILE . . . -59.53 -37.4 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.79 56.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.63 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.12 -58.02 18.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.3 Cg_endo -69.78 -42.88 3.01 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.71 94.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -77.32 -27.67 52.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 57.3 m -83.55 2.94 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.92 40.51 43.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.7 p -145.21 140.48 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -117.67 147.65 42.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.924 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -117.87 158.97 44.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -28.55 24.94 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.594 ' CD2' HG23 ' A' ' 86' ' ' THR . 2.7 t80 -136.66 176.01 9.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -82.96 160.46 22.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.437 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 5.1 mp -97.91 101.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 t -166.28 -176.0 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.7 p -82.94 5.4 22.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.8 p -121.55 48.33 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.594 HG23 ' CD2' ' A' ' 80' ' ' TYR . 44.1 m -116.35 141.84 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -131.52 94.76 3.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.71 ' O ' HG23 ' A' ' 91' ' ' VAL . 69.2 m -80.4 -44.54 19.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -53.03 -31.88 43.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -130.31 66.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 88' ' ' CYS . 69.6 t -73.7 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 110.0 22.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.03 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.4 mp -80.26 147.05 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -143.2 -70.36 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.1 -35.48 77.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.14 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 35' ' ' LEU . 10.8 t -77.13 -46.89 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.67 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.1 m -68.68 -25.91 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -63.02 -51.16 67.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.44 -20.7 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 8' ' ' THR . 17.8 mt -70.14 -35.3 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.03 -57.98 15.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.67 0.747 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.72 -23.77 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.725 2.284 . . . . 0.0 112.351 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 m -83.6 -15.48 48.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.0 -47.64 76.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.5 m -50.35 -38.93 44.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -85.06 -34.05 22.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 18' ' ' LEU . 13.9 mt -72.03 -9.38 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.78 -13.99 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.14 7.58 21.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.9 -165.25 40.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.33 39.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.34 -166.15 35.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 137.65 44.85 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.373 0.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.44 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.8 164.4 16.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 110.849 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.6 Cg_endo -69.76 -43.67 2.53 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.72 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.9 t -64.77 -53.0 53.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.5 m -51.81 -49.6 62.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.46 -43.98 77.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.17 -41.05 81.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 28' ' ' CYS . 58.3 t -54.88 -57.03 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 111.142 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -57.69 -25.41 60.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -70.4 -41.2 73.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.587 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.6 tt -65.32 -40.05 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.836 HD21 HG22 ' A' ' 78' ' ' ILE . 2.6 mt -76.29 -34.67 59.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.27 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.07 -4.98 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.73 127.86 47.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -125.87 -38.9 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.1 p -91.41 -172.1 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.52 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -80.38 -49.8 1.16 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.525 0.679 . . . . 0.0 111.111 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 42' ' ' THR . 63.5 Cg_exo -47.86 -46.93 20.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.84 -47.08 79.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -63.47 -26.42 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -69.89 -46.2 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.26 70.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.03 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -59.64 -53.62 55.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.09 -39.85 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.48 -57.51 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.44 -23.62 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -75.14 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -50.72 -40.77 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 m -74.5 -28.97 61.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -70.6 -53.18 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.37 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.22 -14.81 55.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.6 p -96.04 4.92 52.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.418 HD12 HD13 ' A' ' 62' ' ' LEU . 45.2 mt -84.03 99.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 t -61.76 124.74 21.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt 58.42 48.82 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.418 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.93 139.44 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.7 103.62 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.7 p -53.21 -34.1 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -68.58 -45.1 72.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -69.98 -38.01 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.99 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.56 -27.49 55.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.75 -25.51 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -57.62 -57.35 25.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.672 0.749 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -39.46 6.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.13 -35.41 90.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -76.92 -29.85 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.41 1.84 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.33 9.48 64.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG22 HD13 ' A' ' 36' ' ' LEU . 6.5 p -120.33 119.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -103.01 155.17 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.836 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.45 149.9 41.32 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.73 . . . . 0.0 111.149 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.74 36.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -124.82 168.88 12.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 82' ' ' ILE . 2.9 mttt -84.95 165.75 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.522 HD11 HG13 ' A' ' 78' ' ' ILE . 5.4 mm -115.31 94.52 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -174.75 -178.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.4 p -81.12 0.61 35.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.6 p -113.96 43.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -126.88 142.73 51.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -138.82 95.01 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.9 m -80.03 -20.76 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -70.22 -19.09 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.69 -20.5 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.0 t -94.39 128.35 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -112.43 112.18 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.703 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.864 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -75.63 115.77 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -95.07 -75.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.09 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.96 -38.91 66.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.76 -25.5 62.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.74 HG13 ' CD1' ' A' ' 35' ' ' LEU . 38.2 t -77.91 -46.65 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.701 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.3 m -65.02 -23.09 67.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.57 -51.53 67.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.36 -20.46 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 52' ' ' LEU . 36.0 mt -70.28 -34.84 73.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.43 -57.82 16.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -23.91 30.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -83.43 -16.33 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -64.55 -47.95 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -50.36 -38.2 41.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.192 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -85.19 -34.18 22.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.87 -9.5 58.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -94.86 -13.87 25.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.03 12.56 13.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.66 -164.25 39.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.36 39.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.16 -166.21 35.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 137.71 45.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.333 0.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.436 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.88 164.3 17.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.846 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.2 Cg_endo -69.73 -44.42 2.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -65.69 -34.2 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.719 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.4 t -64.65 -52.41 57.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.6 m -52.49 -50.97 61.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.47 -45.68 58.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.4 -41.27 85.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.512 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 28' ' ' CYS . 65.1 t -54.81 -58.38 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' HG11 ' A' ' 76' ' ' VAL . 18.2 mttt -58.26 -23.75 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -74.25 -39.69 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.878 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.5 tt -65.16 -39.67 93.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 HG21 ' A' ' 78' ' ' ILE . 31.3 mt -80.02 -25.44 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.78 58.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -76.81 -4.84 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.75 86.32 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -86.84 -37.43 17.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -87.18 -172.32 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.89 -49.58 0.9 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.137 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 66.1 Cg_exo -48.04 -47.55 18.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.84 -46.41 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -63.19 -27.78 69.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.17 -49.51 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.39 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.878 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -58.1 -53.32 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.83 -37.71 14.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -65.72 -44.54 85.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 63.6 m -70.7 -32.91 70.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 11' ' ' LEU . 12.6 mt -74.61 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -41.2 59.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -75.19 -27.27 59.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -72.31 -52.12 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -14.48 60.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.48 -14.62 55.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -96.49 5.66 50.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.41 HD12 HD13 ' A' ' 62' ' ' LEU . 46.1 mt -83.97 110.22 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.6 t -67.97 127.18 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm 58.32 44.57 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 59' ' ' ILE . 5.1 tp -50.51 139.38 15.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -108.95 104.22 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -53.4 -31.16 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -69.34 -45.46 69.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.67 -37.66 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.576 ' HB1' ' HB ' ' A' ' 82' ' ' ILE . . . -61.34 -39.71 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.09 -26.26 56.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.52 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.54 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.1 tp -54.03 -57.96 15.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.76 -36.78 10.17 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.64 -47.05 90.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -75.58 -22.32 57.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 6.4 m -83.5 1.69 40.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.79 26.51 74.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 76' ' ' VAL . 3.0 p -145.4 83.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -89.62 143.82 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.43 HG21 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.08 156.47 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -13.02 34.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.35 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -115.1 155.68 26.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -84.93 168.68 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.576 ' HB ' ' HB1' ' A' ' 67' ' ' ALA . 14.0 mm -114.18 108.5 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -179.04 166.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.7 t -76.62 -4.84 45.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.2 p -112.63 34.04 4.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.2 m -121.5 143.64 49.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -114.06 102.09 9.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.416 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -67.99 -12.92 61.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -75.12 -29.68 60.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.9 p -94.85 36.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 88' ' ' CYS . 90.5 t -95.08 119.95 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -103.71 115.01 29.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.856 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.0 mp -76.78 118.81 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -95.21 -74.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.66 -37.16 67.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.75 -31.19 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 35' ' ' LEU . 39.9 t -74.84 -47.63 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.556 ' HA ' HD12 ' A' ' 11' ' ' LEU . 4.1 m -64.64 -22.84 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -48.78 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.06 -22.23 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 8' ' ' THR . 5.4 mt -70.0 -33.68 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.526 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -54.88 -58.2 15.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.77 -23.55 30.63 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 m -82.98 -18.59 39.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.32 -52.22 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.13 -32.08 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -85.18 -39.38 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.77 -8.75 56.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 -13.88 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.77 19.01 7.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.02 -167.08 35.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.79 41.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.98 -169.53 39.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 130.66 17.19 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.366 0.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.38 163.11 27.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -36.11 11.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.06 -36.09 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.709 ' O ' HG23 ' A' ' 32' ' ' VAL . 13.3 t -64.04 -55.1 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m -54.92 -47.0 74.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.96 -49.08 43.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.27 -38.06 71.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 28' ' ' CYS . 92.6 t -56.75 -55.26 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.102 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.74 ' HG3' HG11 ' A' ' 76' ' ' VAL . 13.6 mttt -59.81 -22.72 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -75.16 -37.85 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.5 tt -65.76 -50.18 65.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.882 HD21 HG22 ' A' ' 78' ' ' ILE . 1.6 mt -67.1 -32.64 73.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -36.43 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -75.06 -11.29 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.64 82.18 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -86.65 -28.45 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.0 p -93.61 -172.41 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.529 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -81.56 -51.4 0.85 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.615 0.722 . . . . 0.0 111.12 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -47.96 -49.08 14.59 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB3' HD13 ' A' ' 2' ' ' ILE . 13.9 m-20 -64.84 -44.95 88.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -63.65 -26.52 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -69.98 -51.44 32.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.08 -59.24 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.856 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -51.78 -54.53 27.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 m -47.78 -47.52 30.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -56.4 -39.58 73.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 25.0 m -75.22 -30.11 60.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.4 -55.99 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.97 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.5 t -75.03 -25.71 58.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -74.3 -52.89 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -14.54 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.77 -16.68 47.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.7 p -92.89 0.69 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.489 HD12 HD13 ' A' ' 62' ' ' LEU . 34.2 mt -84.59 110.86 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.6 t -75.1 127.43 33.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm 55.17 48.74 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 59' ' ' ILE . 5.5 tp -51.65 139.61 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -104.4 101.6 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -54.15 -32.9 56.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -65.11 -47.51 76.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -71.57 -40.84 69.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.41 95.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 -20.48 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.98 -36.35 59.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.632 HD21 HG21 ' A' ' 32' ' ' VAL . 2.9 tp -49.24 -56.87 13.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.701 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.38 -27.03 57.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -77.28 -47.84 19.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.25 35.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.53 41.18 99.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.4 p -145.56 81.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.89 -179.75 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.882 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -113.53 158.39 38.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 111.175 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 78' ' ' ILE . 54.1 Cg_endo -69.72 -7.85 22.11 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.784 ' CE1' HG22 ' A' ' 91' ' ' VAL . 7.3 m-85 -124.94 168.15 13.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 163.35 19.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 78' ' ' ILE . 3.0 mp -105.5 94.92 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 p -159.94 177.77 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 p -80.62 -0.02 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 55.5 p -116.5 24.02 11.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.5 m -97.41 133.21 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -117.08 95.21 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.445 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.3 m -77.13 -4.93 46.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.14 -19.95 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.3 18.57 17.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.784 HG22 ' CE1' ' A' ' 80' ' ' TYR . 97.4 t -78.33 121.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.83 114.28 28.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.748 0.309 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -74.77 119.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -95.63 -75.51 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.45 -31.86 57.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.58 55.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.6 t -74.49 -38.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.9 m -70.84 -26.03 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -49.25 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.804 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.16 -15.03 59.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 8' ' ' THR . 9.2 mt -73.53 -37.77 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.603 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.03 -54.35 51.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.79 -27.15 26.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.4 m -83.02 -14.85 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.04 -51.58 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.0 m -50.92 -34.21 27.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -85.31 -38.46 18.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.97 -10.26 59.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -94.74 -12.21 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.11 -0.28 22.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.39 -170.6 28.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.32 47.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -168.65 39.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.85 23.47 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 0.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -64.05 163.75 21.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.689 0.757 . . . . 0.0 110.829 -179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.8 Cg_endo -69.76 -37.14 9.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -71.5 -36.34 71.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.742 ' O ' HG23 ' A' ' 32' ' ' VAL . 10.5 t -64.08 -54.31 36.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.51 -47.95 72.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.04 -48.75 45.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.48 80.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 28' ' ' CYS . 98.9 t -57.11 -55.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 111.098 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG3' HG11 ' A' ' 76' ' ' VAL . 21.4 mttt -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -75.25 -39.0 60.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 52' ' ' LEU . 8.0 tt -65.44 -46.94 77.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.761 HD21 HG22 ' A' ' 78' ' ' ILE . 8.2 mt -68.41 -37.65 80.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -23.79 58.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -84.36 -15.32 46.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.67 98.34 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.03 -28.84 12.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.1 p -94.52 -173.91 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.512 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -79.37 -49.71 1.4 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.551 0.691 . . . . 0.0 111.177 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.4 Cg_exo -48.03 -50.86 11.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.291 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.11 -45.04 90.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -62.92 -26.65 68.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -69.99 -51.51 31.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.82 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.37 -52.68 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.28 -39.07 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -65.18 -40.76 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.9 m -73.7 -33.44 64.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -75.13 -57.87 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.36 -40.06 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 -30.04 60.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -55.2 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.72 55.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.3 -9.79 61.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -109.42 22.1 16.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.2 mm -95.06 114.85 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 60' ' ' THR . 2.8 t -62.86 110.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 mttp 58.41 55.67 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.66 139.75 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -105.6 101.72 11.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 p -54.24 -35.07 62.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.21 -44.22 89.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -71.16 -41.68 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.78 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.98 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.15 -36.08 58.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 32' ' ' VAL . 2.1 tp -49.52 -56.83 14.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.73 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.13 -25.68 57.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -77.36 -49.38 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.06 3.19 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.33 44.09 97.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.434 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.488 HG22 HD12 ' A' ' 36' ' ' LEU . 3.1 p -145.31 82.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 0.0 111.178 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -96.17 176.51 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -110.77 157.15 39.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 111.134 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -8.05 22.61 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -124.74 -170.03 2.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -101.56 169.43 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 78' ' ' ILE . 3.6 mp -119.59 94.76 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.6 m -172.69 176.99 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.3 p -80.2 -4.02 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -104.82 20.94 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -115.98 142.48 46.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.06 102.15 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.55 ' O ' HG23 ' A' ' 91' ' ' VAL . 86.1 m -74.77 -15.62 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -80.08 -38.44 31.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.2 p -103.91 48.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 88' ' ' CYS . 92.1 t -74.9 129.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -98.12 90.94 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.0 mp -74.91 124.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -95.14 -74.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.55 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.43 -24.43 38.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.51 -35.0 27.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 35' ' ' LEU . 16.2 t -74.95 -44.67 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 11' ' ' LEU . 1.7 m -67.62 -27.86 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -48.83 80.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.55 -23.07 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 8' ' ' THR . 9.6 mt -69.44 -31.59 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.518 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -56.76 -58.51 16.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.2 Cg_endo -69.73 -22.65 31.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 m -82.57 -23.69 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.4 mt -51.21 -52.62 42.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -51.22 -30.36 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -85.42 -40.63 16.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.8 mt -73.54 -7.62 52.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 p -94.91 -14.26 24.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.09 18.96 8.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -167.73 35.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 139.79 41.16 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.4 -167.54 38.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 132.05 21.08 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.348 0.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -64.03 164.02 20.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.3 Cg_endo -69.78 -35.42 12.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -72.96 -35.3 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.72 ' O ' HG23 ' A' ' 32' ' ' VAL . 11.0 t -64.35 -53.86 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.16 -45.02 84.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.45 -50.65 40.72 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -37.78 89.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.5 t -56.66 -55.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.613 ' HA ' HG21 ' A' ' 76' ' ' VAL . 13.8 mttt -59.52 -22.85 62.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -38.25 61.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' A' ' 7' ' ' VAL . 7.5 tt -65.2 -51.52 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.848 HD21 HG22 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -63.73 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.03 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -85.17 -3.27 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.39 97.09 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -101.67 -35.56 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.0 p -84.85 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.545 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.68 -51.97 0.69 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 63.8 Cg_exo -47.94 -35.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' HB3' HD13 ' A' ' 2' ' ' ILE . 10.5 m-20 -64.4 -45.51 87.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -56.89 -42.95 80.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.2 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.46 -56.18 21.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.03 -53.55 56.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -48.1 -36.87 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -66.29 -52.68 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 50.4 m -64.59 -28.81 69.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.42 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -50.93 -40.82 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t -75.21 -27.71 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -73.85 -51.75 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.02 -15.0 61.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.55 -8.74 63.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -110.05 21.76 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.1 mm -98.03 117.58 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 60' ' ' THR . 3.4 t -68.47 113.38 5.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.24 53.13 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.49 139.81 19.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.88 103.11 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -54.31 -29.52 47.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -69.47 -43.18 73.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -73.25 -40.59 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.34 94.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.88 -22.12 56.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.3 -34.32 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.647 HD21 HG21 ' A' ' 32' ' ' VAL . 2.0 tp -50.14 -57.32 13.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.79 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -27.14 59.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -77.04 -48.33 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.16 3.45 34.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.35 36.87 93.97 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.613 HG21 ' HA ' ' A' ' 33' ' ' LYS . 3.3 p -139.64 81.92 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.08 175.95 5.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.848 HG22 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.37 156.71 40.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.709 . . . . 0.0 111.171 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -8.29 23.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.724 ' CE1' HG21 ' A' ' 91' ' ' VAL . 10.1 m-85 -113.29 -169.82 1.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.661 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -104.87 176.7 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.931 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 81' ' ' LYS . 27.7 mm -132.25 98.99 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 p -175.68 -173.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 p -80.55 -0.11 36.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -126.88 48.24 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.8 m -117.91 119.96 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -115.43 96.91 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.45 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.9 m -78.2 -12.29 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.03 -37.17 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.3 p -94.87 44.11 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 80' ' ' TYR . 85.5 t -88.88 128.62 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -88.66 104.82 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.765 0.316 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -76.2 116.08 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -93.58 -75.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -51.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.62 -42.8 78.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -22.46 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.691 ' HA ' HD12 ' A' ' 35' ' ' LEU . 60.6 t -76.62 -49.11 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . 4.8 m -65.01 -14.17 59.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 p -54.62 -41.38 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.33 -29.21 53.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 8' ' ' THR . 35.7 mt -71.51 -32.2 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.524 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -51.5 -58.63 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.73 -30.96 21.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.533 ' SG ' HD13 ' A' ' 70' ' ' LEU . 1.3 m -83.2 0.93 43.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.93 -57.48 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -58.44 -19.25 34.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -86.26 -42.76 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.12 -8.33 56.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -94.69 -5.22 46.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.82 12.68 27.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.16 -166.18 35.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 157.47 60.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.48 -168.82 27.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.45 79.52 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.312 0.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.43 163.44 40.36 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.699 0.761 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -47.53 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.29 -39.52 79.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.9 t -63.01 -51.95 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.8 m -48.13 -45.07 32.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.41 -39.96 98.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.41 -40.57 54.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 HD11 ' A' ' 70' ' ' LEU . 53.7 t -54.37 -54.85 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -54.74 -26.14 32.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -41.82 83.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 7' ' ' VAL . 9.2 tt -65.24 -46.64 79.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 ' CG2' ' A' ' 78' ' ' ILE . 10.3 mt -70.79 -24.49 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.66 -27.89 40.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -3.25 58.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB2' HD11 ' A' ' 2' ' ' ILE . . . -124.86 117.66 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.574 ' OD1' HG23 ' A' ' 41' ' ' THR . 3.8 p30 -120.26 -33.32 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.574 HG23 ' OD1' ' A' ' 40' ' ' ASN . 26.3 p -85.97 -175.49 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.513 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.93 -49.52 0.9 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 0.0 111.117 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.8 Cg_exo -47.98 -48.38 16.5 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HB3' HD13 ' A' ' 2' ' ' ILE . 4.0 m-20 -64.99 -40.8 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -64.24 -28.47 69.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.39 -48.72 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.5 77.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -59.23 -59.17 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.8 -40.23 20.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.76 -43.56 97.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 m -75.11 -28.02 60.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 52' ' ' LEU . 17.4 mt -75.03 -60.38 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.49 -39.9 49.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -75.36 -29.88 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.47 -52.74 19.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -21.46 60.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.89 -24.59 66.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -94.93 21.24 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mm -96.4 115.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -54.95 114.65 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 mttt 58.5 50.36 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tp -50.39 139.69 14.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -114.04 105.24 12.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.4 p -52.62 -33.41 46.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.82 -36.78 78.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -72.65 -44.23 62.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.41 -42.29 77.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.07 -28.15 60.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.68 61.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.74 HD11 HG21 ' A' ' 32' ' ' VAL . 2.2 tp -60.43 -58.68 17.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.83 -32.76 17.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.45 56.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.17 -28.0 57.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -83.83 3.84 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.79 8.36 63.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 76' ' ' VAL . 3.0 p -118.62 85.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.69 148.95 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.562 ' CG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.63 157.45 42.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -8.23 23.08 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -124.66 146.58 49.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -85.88 173.46 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.1 121.98 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -179.36 156.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -66.84 -13.47 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.7 p -109.13 23.06 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 m -106.42 142.36 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -122.84 104.75 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.424 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -74.85 -24.92 58.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -61.12 -21.95 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.74 18.42 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' HA ' ' A' ' 88' ' ' CYS . 96.9 t -95.02 136.62 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -100.15 105.01 16.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.756 0.312 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.792 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.9 119.33 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -95.28 -74.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.76 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.14 60.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.71 55.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.734 HG13 ' CD1' ' A' ' 35' ' ' LEU . 55.4 t -74.73 -42.76 47.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.565 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.6 m -65.8 -21.44 66.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -51.48 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.31 -20.64 58.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.729 HD21 HD23 ' A' ' 52' ' ' LEU . 42.5 mt -70.19 -35.12 73.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.96 -57.89 15.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.694 0.759 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.6 Cg_endo -69.76 -23.94 30.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -83.37 -15.92 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 11.5 mt -65.46 -46.89 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 m -50.85 -39.66 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -84.13 -37.84 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.7 mt -68.64 -11.41 60.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 p -94.42 -12.86 26.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.34 23.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.44 -168.92 24.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.428 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 138.99 39.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.18 -165.35 36.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 135.61 34.6 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.318 -0.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.501 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.57 163.29 21.12 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.706 0.765 . . . . 0.0 110.821 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.2 Cg_endo -69.78 -41.93 3.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.15 -36.77 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.738 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.7 t -64.68 -49.82 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 m -52.23 -50.96 60.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.56 82.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.61 82.71 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 28' ' ' CYS . 58.6 t -54.51 -59.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HG3' HG11 ' A' ' 76' ' ' VAL . 4.3 mttt -58.63 -22.43 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.11 -40.0 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.759 HD13 HD11 ' A' ' 52' ' ' LEU . 8.2 tt -65.69 -41.83 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.74 -37.01 62.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.13 58.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.13 -13.44 59.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.66 88.19 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -82.33 -34.97 28.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -84.95 -176.38 6.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.523 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.13 -49.69 0.86 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.71 . . . . 0.0 111.134 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.95 -52.16 8.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.16 -42.54 96.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -62.76 -31.7 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.01 -49.46 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.59 -58.74 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.792 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.98 -52.98 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 m -48.23 -38.35 18.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.35 -41.9 93.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 63.8 m -70.73 -34.68 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.759 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -74.65 -57.12 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -41.23 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 m -75.0 -28.59 60.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.34 -51.3 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.057 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.17 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.89 -14.99 73.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.12 22.3 15.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.2 mm -89.81 108.9 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -56.57 122.34 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.13 46.24 21.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.05 139.63 17.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.7 103.89 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -53.41 -32.19 48.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -70.23 -43.77 69.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -71.66 -38.21 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.79 89.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.94 -28.07 55.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.12 -28.36 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.3 tp -54.1 -57.55 17.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.76 -43.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.06 -32.85 81.84 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -77.64 -34.28 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.0 m -82.82 1.21 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.29 33.86 73.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 76' ' ' VAL . 3.0 p -145.17 83.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 111.16 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.39 171.57 9.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.32 160.06 43.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.47 23.7 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.436 ' CD2' HG23 ' A' ' 86' ' ' THR . 3.0 t80 -136.82 163.66 30.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -83.33 163.38 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.54 121.83 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -177.2 174.38 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 p -80.53 -0.39 37.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.8 p -113.92 36.38 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.436 HG23 ' CD2' ' A' ' 80' ' ' TYR . 65.0 m -123.42 127.76 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -129.04 100.76 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.7 m -55.11 -26.52 38.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -57.79 -31.27 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.93 18.89 12.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.8 t -144.92 120.12 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -103.88 113.13 26.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.589 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.2 mp -74.89 119.1 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -95.26 -76.07 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.81 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.87 -32.81 55.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 -29.95 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.766 HG13 HD11 ' A' ' 35' ' ' LEU . 21.3 t -78.11 -46.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.562 ' HA ' HD12 ' A' ' 11' ' ' LEU . 5.7 m -64.77 -27.17 68.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.28 -47.42 84.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.16 -22.07 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 8' ' ' THR . 4.6 mt -70.0 -34.42 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -54.15 -58.21 14.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.3 Cg_endo -69.75 -23.69 30.57 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.628 2.219 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 m -83.38 -16.25 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 mt -63.49 -51.04 67.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -51.36 -38.78 55.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -79.58 -41.03 28.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.6 -12.12 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -94.59 -12.07 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.37 0.27 23.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.71 -168.84 21.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.524 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 140.23 42.16 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.94 -169.81 39.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.09 18.24 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.345 0.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 162.98 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.682 0.753 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -37.84 8.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -71.04 -35.81 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.5 t -64.17 -55.05 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -54.09 -47.28 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.99 -50.94 36.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.64 -38.52 93.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 28' ' ' CYS . 87.9 t -54.77 -55.75 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.664 ' HG3' HG11 ' A' ' 76' ' ' VAL . 20.0 mttt -59.91 -25.34 65.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.86 -35.58 59.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.766 HD11 HG13 ' A' ' 7' ' ' VAL . 7.2 tt -65.1 -46.31 81.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD12 ' CG2' ' A' ' 76' ' ' VAL . 7.1 mt -73.68 -34.19 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.86 -24.98 58.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -79.21 -11.74 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 2' ' ' ILE . . . -124.67 123.8 40.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -118.86 -37.55 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -87.57 -172.48 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.508 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -80.99 -51.42 0.92 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.163 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.9 Cg_exo -47.97 -47.97 17.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.73 -44.65 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -63.25 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -67.2 -42.87 83.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.13 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -56.96 -53.2 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -47.84 -38.39 15.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.53 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 57.4 m -72.54 -32.97 66.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 52' ' ' LEU . 14.5 mt -74.82 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -41.28 55.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 t -75.3 -27.71 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.94 -55.9 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.13 -14.68 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -15.83 49.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 1.6 56.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.433 HG21 HD12 ' A' ' 62' ' ' LEU . 34.0 mt -84.59 107.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.5 t -74.9 131.67 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 54.65 45.29 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.433 HD12 HG21 ' A' ' 59' ' ' ILE . 5.5 tp -51.51 139.61 19.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -103.39 101.21 11.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.1 p -54.2 -31.74 53.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.58 -45.87 81.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -73.04 -42.01 63.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.65 94.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.44 -22.42 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.0 -34.07 61.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.5 tp -50.08 -57.58 12.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.72 -49.21 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.52 -27.13 58.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -76.95 -47.97 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.09 3.35 35.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.39 41.11 99.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.664 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.4 p -145.1 81.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.32 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -111.79 156.42 41.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 111.132 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -115.05 -176.22 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -100.34 162.07 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 78' ' ' ILE . 2.6 mp -112.89 107.29 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 p -176.47 155.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.7 t -69.71 -10.56 58.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.6 p -111.55 33.32 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -117.21 143.51 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -112.48 106.81 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.421 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.7 m -74.37 -24.08 59.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -62.02 -22.0 65.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.83 18.34 11.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 88' ' ' CYS . 95.4 t -95.03 128.87 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -99.73 107.94 20.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.12 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.4 mp -79.46 146.8 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -143.05 -70.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.6 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.86 -34.37 57.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.13 -24.44 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.659 HG13 ' CD1' ' A' ' 35' ' ' LEU . 11.3 t -76.27 -42.03 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.559 ' HA ' HD12 ' A' ' 11' ' ' LEU . 21.3 m -68.85 -25.38 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -52.13 59.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.21 -20.49 59.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 8' ' ' THR . 15.1 mt -70.25 -35.21 73.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.7 m -53.99 -57.84 16.09 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.661 0.744 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.9 Cg_endo -69.78 -23.86 30.25 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.0 m -83.39 -16.02 47.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.95 -48.11 75.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -50.88 -37.05 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -85.2 -37.17 20.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 18' ' ' LEU . 16.1 mt -71.07 -9.57 58.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -94.76 -13.75 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 10.44 20.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.26 -164.95 40.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.26 39.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.54 -165.35 34.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.67 39.97 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.348 0.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.5 p -63.9 162.87 26.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 52.9 Cg_endo -69.8 -41.25 4.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.282 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.734 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -65.33 -50.51 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -52.75 -50.34 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.25 -45.7 73.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.45 87.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 28' ' ' CYS . 97.9 t -54.7 -59.39 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -55.81 -24.7 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -71.72 -43.43 65.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.1 tt -65.27 -31.78 73.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 76' ' ' VAL . 18.6 mt -85.73 -31.21 22.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.9 -30.72 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 -2.98 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.79 98.71 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -99.75 -30.92 11.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 p -95.3 -172.18 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.522 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -81.73 -49.62 0.92 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.556 0.693 . . . . 0.0 111.169 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 42' ' ' THR . 65.2 Cg_exo -47.98 -46.03 23.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.66 -50.05 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 mtm-85 -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -68.87 -48.77 62.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -50.48 72.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.12 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -62.0 -54.47 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.16 -35.54 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -64.84 -56.17 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.52 -27.77 69.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.57 -53.94 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -41.32 56.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -73.21 -32.57 64.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.25 -55.91 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -22.4 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.21 -17.44 61.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 p -100.05 19.7 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.46 113.7 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -56.76 114.06 1.91 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 58.49 52.36 7.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.67 HD21 ' OG ' ' A' ' 83' ' ' SER . 5.2 tp -51.26 139.52 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -110.39 104.42 13.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 p -53.3 -36.44 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.73 -43.99 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -68.07 -40.66 82.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.54 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.4 -27.53 56.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB1' ' HD3' ' A' ' 73' ' ' LYS . . . -72.69 -27.54 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.0 tp -56.09 -58.02 18.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.77 -34.39 14.64 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.96 -46.8 70.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HD3' ' HB1' ' A' ' 69' ' ' ALA . 1.4 mptp? -75.63 -20.94 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.3 m -83.52 2.67 35.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.68 29.72 72.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.603 HG21 HD12 ' A' ' 36' ' ' LEU . 2.6 p -145.08 88.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.365 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.76 139.17 30.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -113.84 157.14 42.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.148 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.71 37.71 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.507 ' HB3' HG21 ' A' ' 91' ' ' VAL . 16.4 p90 -115.15 177.52 4.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -104.96 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.401 HD11 HD11 ' A' ' 78' ' ' ILE . 2.7 mp -126.88 100.01 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.67 ' OG ' HD21 ' A' ' 62' ' ' LEU . 2.4 m -173.1 -179.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.6 t -77.83 -3.05 39.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.2 p -121.96 45.97 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -115.94 141.89 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' O ' HG23 ' A' ' 91' ' ' VAL . 22.9 t-20 -116.53 94.3 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 64.0 m -80.23 -25.72 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.8 -21.85 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.86 -16.42 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 80' ' ' TYR . 91.6 t -74.97 121.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -105.99 111.54 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.853 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.94 117.21 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -95.52 -75.71 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.21 -42.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.89 -35.42 58.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.88 -26.64 54.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.736 HG13 ' CD1' ' A' ' 35' ' ' LEU . 56.4 t -74.76 -35.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.68 ' HA ' HD12 ' A' ' 11' ' ' LEU . 2.0 m -73.92 -23.67 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -60.48 -47.35 86.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -77.77 -22.83 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 8' ' ' THR . 25.6 mt -69.8 -34.88 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.52 -58.37 13.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.3 Cg_endo -69.68 -23.91 30.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.49 -14.98 51.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.2 -47.85 75.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -50.68 -38.23 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -85.28 -34.61 21.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.4 mt -72.88 -8.57 56.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 p -95.51 -13.74 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 10.2 18.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.12 -164.47 40.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.24 39.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.91 -166.35 35.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 136.49 39.07 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.339 0.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.428 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.83 164.47 16.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.22 -34.2 77.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.7 t -65.64 -51.84 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.1 m -51.7 -49.22 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.51 -45.55 83.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -41.54 92.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 28' ' ' CYS . 61.3 t -54.58 -58.61 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -58.04 -23.99 56.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.14 -40.68 67.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.807 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.7 tt -65.81 -40.24 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD13 ' CG2' ' A' ' 76' ' ' VAL . 2.2 mt -76.2 -37.26 58.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.78 -24.16 58.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' HD11 ' A' ' 2' ' ' ILE . . . -79.92 -12.94 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.59 86.75 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.75 -33.89 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 p -88.22 -173.01 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.512 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.52 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.564 0.697 . . . . 0.0 111.084 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 66.9 Cg_exo -48.02 -49.03 14.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 -45.79 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -50.98 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.4 -54.3 45.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.853 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -57.85 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.1 -38.71 18.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -65.15 -41.67 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 66.8 m -72.52 -34.34 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.764 HD11 HD13 ' A' ' 35' ' ' LEU . 12.5 mt -74.1 -57.69 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -40.73 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 m -74.55 -28.76 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.84 -54.49 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.87 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.22 -13.44 57.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -105.81 22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.01 111.19 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.25 122.9 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 mttm 56.77 44.95 22.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.11 139.59 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.23 103.84 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 p -53.46 -34.47 58.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -69.51 -39.24 77.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.36 85.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.39 -27.33 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.46 -24.83 60.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 3.4 tp -58.62 -57.54 25.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.68 0.753 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.74 -37.27 9.44 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.97 83.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -76.61 -29.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.4 m -83.2 -5.41 59.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.0 -5.58 82.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.514 ' CG2' HD13 ' A' ' 36' ' ' LEU . 2.8 p -106.32 86.47 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.333 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -88.67 148.02 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.403 ' CG2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.71 157.11 40.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.83 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.29 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.769 ' CE1' HG22 ' A' ' 91' ' ' VAL . 17.8 m-85 -115.23 160.91 19.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -84.95 156.61 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.2 mm -90.12 106.14 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t -164.8 160.57 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.4 t -74.49 -6.38 48.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 p -99.83 -24.55 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -51.99 142.96 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -115.41 103.6 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.424 ' HA ' HG23 ' A' ' 91' ' ' VAL . 1.7 m -76.0 -21.31 57.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -64.43 -20.65 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.91 17.73 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.769 HG22 ' CE1' ' A' ' 80' ' ' TYR . 92.4 t -89.86 120.47 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -104.48 115.05 29.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.774 0.321 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 39' ' ' ALA . 5.3 mp -74.78 140.03 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -95.72 -75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.55 -40.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.15 -37.36 71.87 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -25.18 67.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 HD11 ' A' ' 11' ' ' LEU . 16.8 t -74.79 -44.71 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.507 ' HA ' HD12 ' A' ' 11' ' ' LEU . 6.3 m -64.92 -25.33 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 m -65.37 -52.57 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -20.74 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 8' ' ' THR . 18.8 mt -70.34 -35.19 73.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 1.3 t -53.91 -57.84 15.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 12' ' ' SER . 53.7 Cg_endo -69.75 -24.08 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.2 m -83.23 -15.83 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' CD2' HD11 ' A' ' 59' ' ' ILE . 11.4 mt -65.52 -47.61 75.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -50.25 -40.62 48.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -83.03 -38.09 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 18' ' ' LEU . 14.3 mt -67.64 -12.31 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 p -94.2 -12.47 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.46 -1.42 25.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.5 -167.32 21.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 138.67 38.18 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.77 -166.5 36.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 136.61 39.76 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.295 0.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.78 164.37 16.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.685 0.755 . . . . 0.0 110.83 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 54.0 Cg_endo -69.75 -43.63 2.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.8 t -64.86 -50.94 64.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.9 m -51.85 -50.55 60.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.87 -44.14 81.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.91 -43.76 81.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 28' ' ' CYS . 46.8 t -54.2 -60.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.11 -23.9 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.05 -43.46 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.708 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.81 -31.44 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 76' ' ' VAL . 20.8 mt -85.07 -34.98 22.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.92 -33.27 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.24 -1.71 53.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.721 ' HB2' HD13 ' A' ' 2' ' ' ILE . . . -124.7 107.53 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -115.94 -25.52 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -95.35 -173.14 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.53 ' HB ' ' HD3' ' A' ' 43' ' ' PRO . 1.0 OUTLIER -82.49 -51.27 0.75 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.123 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' A' ' 42' ' ' THR . 64.3 Cg_exo -47.97 -47.34 19.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' HB3' HD12 ' A' ' 2' ' ' ILE . 2.8 m-20 -64.74 -46.72 81.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -62.96 -28.34 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.574 HE22 ' ND2' ' A' ' 89' ' ' ASN . 10.5 mm100 -68.3 -51.23 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.8 -49.96 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.708 ' HB1' HD21 ' A' ' 35' ' ' LEU . . . -62.51 -55.08 30.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -49.02 -35.01 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.66 -61.16 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.3 m -63.98 -23.79 67.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.97 -62.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.71 -38.82 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 m -75.2 -30.19 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' CYS . . . -69.54 -54.35 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 -24.08 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.6 -18.73 52.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -99.84 21.57 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.431 HD11 ' CD2' ' A' ' 15' ' ' LEU . 37.0 mm -94.69 109.75 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -55.55 115.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttm 58.25 53.52 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.36 139.46 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -108.94 103.73 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 p -53.66 -35.23 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -66.72 -42.76 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -69.5 -41.27 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -39.43 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.33 -28.33 56.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.62 -25.27 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.9 tp -57.05 -57.95 21.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.655 0.74 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.5 Cg_endo -69.81 -40.93 4.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.628 2.218 . . . . 0.0 112.316 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.76 -37.79 95.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.534 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -76.88 -27.69 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.4 m -83.55 2.79 35.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.76 40.7 57.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.716 HG21 HD12 ' A' ' 36' ' ' LEU . 11.5 p -145.1 140.18 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.332 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -125.28 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.522 HG22 HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -112.09 153.77 44.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -19.34 36.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -124.97 -176.2 3.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -104.87 173.64 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.8 115.82 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -179.43 158.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.2 t -72.2 -8.66 55.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.7 p -110.88 37.59 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -123.81 143.2 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -112.77 98.27 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.07 -14.66 62.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.574 ' ND2' HE22 ' A' ' 46' ' ' GLN . 3.1 m120 -74.84 -22.57 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.86 18.52 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.55 120.08 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -93.95 115.02 27.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.979 HG21 ' HB2' ' A' ' 48' ' ' ALA . 5.1 mp -74.93 116.33 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -95.71 -75.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.8 -38.26 82.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.17 -29.45 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG13 ' CD1' ' A' ' 35' ' ' LEU . 20.1 t -74.69 -42.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.681 ' HA ' HD12 ' A' ' 11' ' ' LEU . 28.4 m -65.42 -26.75 68.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -62.89 -51.84 65.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.409 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 1.5 m-20 -76.3 -14.48 60.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 8' ' ' THR . 16.1 mt -73.57 -37.61 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.614 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -55.19 -54.15 53.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.853 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 12' ' ' SER . 54.0 Cg_endo -69.8 -27.31 26.43 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.358 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 m -82.45 -16.11 50.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.2 mt -65.32 -48.03 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -50.72 -37.25 40.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -85.3 -36.96 20.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 18' ' ' LEU . 16.8 mt -71.02 -9.62 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -94.67 -13.8 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.73 6.72 26.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.91 -164.07 37.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.22 39.59 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.13 -165.41 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.71 45.42 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.352 0.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.505 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.6 p -63.79 162.69 26.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 25' ' ' SER . 53.5 Cg_endo -69.84 -42.35 3.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -35.76 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.729 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.8 t -65.14 -50.75 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -51.83 -50.74 60.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 -45.36 78.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.62 87.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 28' ' ' CYS . 65.8 t -54.79 -59.63 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.091 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -57.71 -22.92 49.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -40.48 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.847 HD21 ' HB1' ' A' ' 48' ' ' ALA . 7.4 tt -65.26 -36.67 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.716 HD12 HG21 ' A' ' 76' ' ' VAL . 22.7 mt -82.63 -25.41 33.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.84 -37.08 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.22 -3.49 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.7 78.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.57 -38.08 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 p -85.33 -173.83 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.524 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.01 -49.62 0.88 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.559 0.695 . . . . 0.0 111.118 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 42' ' ' THR . 64.6 Cg_exo -47.89 -46.76 20.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.391 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.74 -47.94 76.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.76 -49.89 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.77 -57.5 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.979 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -55.23 -53.68 52.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 m -47.94 -40.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -63.32 -42.02 98.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 67.9 m -71.41 -37.41 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.627 HD23 HD21 ' A' ' 11' ' ' LEU . 12.5 mt -69.57 -52.05 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -50.79 -41.93 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -71.31 -30.89 66.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.65 -57.84 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.7 -21.13 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.66 -15.79 66.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.561 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -103.66 22.11 14.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.0 mm -90.53 113.16 26.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 t -58.17 118.42 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mttt 58.43 47.67 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.79 139.7 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -109.78 103.91 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 p -53.37 -34.72 58.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.6 -43.16 81.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.13 -40.57 74.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.24 79.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.48 -28.52 56.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 71' ' ' PRO . 2.7 tp -56.7 -57.96 20.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -41.49 4.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.84 93.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -77.32 -28.09 53.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.24 2.4 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 40.1 46.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.716 HG21 HD12 ' A' ' 36' ' ' LEU . 12.5 p -145.3 140.71 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -130.87 145.61 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.27 157.9 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.31 35.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.492 ' CE1' HG22 ' A' ' 91' ' ' VAL . 8.2 m-85 -124.8 168.31 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 168.85 14.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.1 mm -110.18 94.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -166.91 -177.01 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.65 0.23 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.8 p -111.9 26.19 10.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.2 m -102.86 142.05 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -130.34 94.95 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 91' ' ' VAL . 1.8 m -79.93 -5.55 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -80.2 -35.77 35.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 p -102.35 46.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 88' ' ' CYS . 84.6 t -80.56 132.87 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -89.96 114.98 26.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.93 . . . . . . . . 0 0 . 1 stop_ save_