data_2w9u_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 2w9u _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 ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 176.95 33.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.04 -28.54 19.04 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.421 2.08 . . . . 0.0 112.168 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 179.246 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -97.22 114.68 26.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.583 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -54.67 -23.89 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 167.75 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.795 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -177.57 34.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.716 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -156.53 116.73 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -46.46 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -51.92 149.14 9.44 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.61 131.57 30.01 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.562 2.175 . . . . 0.0 112.403 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.53 154.51 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.78 24.54 72.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.352 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.7 m -124.4 125.96 45.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.441 ' N ' ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.19 112.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.791 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.1 p -99.41 -41.95 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -91.06 -70.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 58.21 28.91 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -59.31 135.18 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 p -52.69 -34.81 53.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -87.02 -19.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -163.78 115.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.954 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -102.49 132.59 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.7 m-70 -132.18 -168.52 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.9 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.441 ' CE1' ' N ' ' A' ' 21' ' ' THR . 7.1 m-85 -149.59 155.52 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.784 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.66 146.2 23.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.482 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.7 p -107.06 21.62 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.87 27.29 4.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.745 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -114.99 -27.9 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.707 0.289 . . . . 0.0 111.254 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -147.27 173.76 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -102.23 17.63 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -127.12 104.84 8.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.2 m -51.42 145.83 13.62 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 173.88 10.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.581 2.187 . . . . 0.0 112.287 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 p -97.81 25.79 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -143.84 148.3 41.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 C--N 1.344 0.313 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.44 -158.8 27.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.399 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.29 -23.98 17.19 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 0.0 112.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -97.16 -33.83 11.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.86 159.13 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -174.66 -42.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 18.2 mt-30 -94.2 14.84 18.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 26.0 t 76.9 27.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.5 105.38 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.33 117.77 0.74 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -42.46 146.17 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.413 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.43 136.18 74.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.561 2.174 . . . . 0.0 112.494 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 114.02 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.68 18.73 5.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -128.21 135.64 49.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.412 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.65 130.62 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 31.4 p -110.22 -27.97 8.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -71.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 111.343 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp 55.37 32.82 19.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 28' ' ' SER . 14.5 t -55.22 177.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 t -62.11 -21.75 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.195 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 t -154.16 47.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.881 0.372 . . . . 0.0 111.619 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.467 ' N ' HG21 ' A' ' 25' ' ' THR . 0.5 OUTLIER 174.44 86.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.062 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -94.3 133.2 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -134.78 155.96 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -107.0 155.76 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 153.13 17.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -112.58 19.38 17.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.49 49.02 16.35 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.735 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 -46.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.312 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -153.31 173.75 15.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.7 m -72.71 -19.61 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.255 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.81 118.03 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.14 141.68 31.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.76 171.42 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.442 2.095 . . . . 0.0 112.259 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -105.31 26.32 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -160.16 141.9 9.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.514 2.142 . . . . 0.0 112.385 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.856 0.36 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.09 169.64 30.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.51 -27.37 68.54 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.684 2.256 . . . . 0.0 112.243 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.5 t -86.92 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 143.2 37.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -78.55 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -130.46 -0.58 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.685 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -179.54 -36.67 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.691 0.281 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -126.44 150.32 48.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.79 0.328 . . . . 0.0 110.742 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.42 142.61 4.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -60.48 163.76 8.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.69 130.18 32.26 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.492 2.128 . . . . 0.0 112.272 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.79 153.64 0.39 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.73 17.19 78.05 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.224 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.1 m -121.01 119.6 32.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.51 134.16 55.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 p -107.8 -36.67 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.277 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -93.98 -69.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 111.333 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 52.06 26.91 4.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 t -59.65 177.51 0.21 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -64.41 -20.11 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.391 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.2 t -153.38 45.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB3' ' CE3' ' A' ' 23' ' ' TRP . 1.0 OUTLIER 172.16 87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.286 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 83.9 p -105.97 135.57 47.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -136.06 157.27 47.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -110.66 160.94 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.0 m -92.7 148.38 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -109.27 20.58 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.511 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.97 31.92 5.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 -125.27 -42.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -141.46 163.06 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.6 m -92.05 8.32 38.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.87 101.28 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.822 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.1 m -57.68 135.05 82.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 178.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.448 2.098 . . . . 0.0 112.286 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 p -109.42 29.69 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -162.2 144.19 8.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.707 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.5 2.134 . . . . 0.0 112.366 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.868 0.366 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.78 -164.47 11.07 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.653 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.99 -5.12 16.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.783 2.322 . . . . 0.0 113.137 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -108.49 -36.36 6.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.751 0.31 . . . . 0.0 111.1 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.0 m -99.96 114.45 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 111.178 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -115.47 -12.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 14.4 mt-30 -136.89 13.23 3.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER 80.13 36.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.881 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 15' ' ' LEU . 15.9 tttm -158.66 84.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.501 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -18.09 125.6 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.253 -179.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -47.42 144.34 4.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.52 125.68 12.86 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.59 2.193 . . . . 0.0 112.613 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.31 123.8 10.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.038 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.3 24.11 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.234 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -129.59 142.68 50.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.715 0.293 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.45 139.28 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.999 0.428 . . . . 0.0 111.153 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.07 -40.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.302 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -112.44 42.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.714 -179.223 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -67.58 66.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.743 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.426 ' CG2' ' CB ' ' A' ' 28' ' ' SER . 10.1 t -77.48 174.07 11.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -64.2 -21.35 66.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.503 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -131.97 34.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 111.498 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.426 ' CB ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER 177.63 173.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 59.0 p -178.85 117.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.736 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -120.82 158.25 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -104.72 129.24 52.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 153.04 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.736 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 p -105.02 18.82 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.04 39.33 11.66 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -136.16 -57.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -115.67 171.71 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.705 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 4.4 m -103.74 17.65 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.27 104.54 13.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.83 133.73 95.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 178.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.435 2.09 . . . . 0.0 112.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.73 30.86 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.65 144.53 14.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.763 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.344 0.313 0 C-N-CA 122.505 2.137 . . . . 0.0 112.346 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.58 -157.96 9.15 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.683 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.8 Cg_endo -68.95 -53.3 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.675 2.25 . . . . 0.0 112.792 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -30.44 70.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.955 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.86 136.49 34.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -94.56 -71.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.417 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 10.2 mt-30 -119.54 -25.82 5.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.947 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 53.3 t 161.16 47.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.05 0.54 . . . . 0.0 109.619 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -166.69 127.82 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -47.67 116.84 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.891 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -50.32 143.82 12.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.631 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.51 124.07 14.86 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.359 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.56 160.12 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.7 23.52 65.32 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.163 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -124.53 126.45 45.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.487 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.427 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -52.14 113.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.293 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.72 24.43 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -166.65 -73.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.719 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 60.49 28.59 18.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 98.6 m -53.83 155.93 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 18.8 t -77.68 55.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 26' ' ' SER . 8.0 p 170.15 -33.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -139.16 103.31 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.936 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -98.68 129.76 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.474 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.1 m-70 -126.42 -172.79 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.303 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE2' HG21 ' A' ' 21' ' ' THR . 11.3 m-85 -149.62 141.75 24.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.96 146.46 35.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 p -100.21 16.92 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.57 27.06 4.14 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.65 18.8 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.748 0.308 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.408 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -177.47 156.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.93 17.09 24.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -114.84 93.72 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 17.0 t -50.7 106.92 0.7 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 84.4 Cg_exo -46.3 166.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.618 2.212 . . . . 0.0 112.64 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.3 m -98.38 29.96 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 20.7 p90 -137.01 146.96 56.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.338 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 37' ' ' CYS . . . 144.08 -176.82 23.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.462 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.35 -35.64 6.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.572 2.182 . . . . 0.0 112.845 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 45.1 t -97.83 41.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 1.5 m -145.57 146.11 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -89.51 49.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 73.18 6.26 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.727 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t -173.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.716 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -123.7 139.43 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 111.18 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.36 126.6 13.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.999 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -57.35 166.4 1.64 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.736 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.38 116.81 3.58 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.553 2.169 . . . . 0.0 112.336 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.66 121.09 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 131.05 -4.57 5.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.777 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -116.54 151.38 36.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 110.491 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.68 127.49 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.003 0.43 . . . . 0.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -110.91 28.74 8.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.01 -74.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.629 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' H ' ' HA ' ' A' ' 29' ' ' SER . 45.9 tttm 47.89 33.37 3.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.465 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 66.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.515 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 77.33 -56.32 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.011 0.434 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 28' ' ' SER . 8.9 p -133.71 -44.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.409 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.84 85.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.534 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 16.0 p -114.77 127.3 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.1 m-70 -136.39 129.15 30.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 3.3 m-85 -69.98 159.13 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.94 142.42 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 15.47 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 42.91 36.21 2.5 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.938 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.51 -49.94 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 111.271 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.98 166.47 24.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 3.3 m -77.21 -25.97 52.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.47 102.06 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.5 m -60.72 147.62 83.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.657 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.76 169.52 7.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.389 2.059 . . . . 0.0 111.949 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.89 19.43 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.323 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -143.81 140.85 17.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.344 0.329 0 C-N-CA 122.503 2.135 . . . . 0.0 112.333 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.43 10.41 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.693 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.75 -43.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.167 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.77 -61.24 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.637 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.0 p -59.01 118.35 5.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -52.64 -70.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.342 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -142.69 7.99 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -174.81 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 139.04 54.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.266 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.74 128.94 21.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.6 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -47.48 153.57 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.75 131.53 38.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.386 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 161.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.4 26.3 59.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.235 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.9 m -126.91 139.9 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.456 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.02 117.84 5.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.761 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -110.56 45.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -176.37 -73.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tttp 58.43 49.92 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.05 0.452 . . . . 0.0 110.162 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.1 m -69.69 63.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.609 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 t 72.47 -55.82 0.66 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.33 -37.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.516 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -44.77 -68.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 28' ' ' SER . 2.3 p 52.43 111.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.734 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -128.47 125.41 38.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -77.09 152.11 35.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.53 175.45 6.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 p -127.18 18.64 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.802 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.72 37.25 14.08 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -120.38 -40.61 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 111.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 m -148.16 159.12 44.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -68.56 -23.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.577 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -71.04 92.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.3 t -52.45 132.93 44.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 73.2 Cg_exo -50.96 162.32 1.13 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.494 2.13 . . . . 0.0 112.471 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -98.13 26.95 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 29.4 p90 -137.29 146.29 53.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.804 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo . . . . . 0 C--N 1.345 0.357 0 C-N-CA 122.464 2.109 . . . . 0.0 112.345 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.948 0.404 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 -143.51 6.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 7.6 Cg_exo -72.23 -44.74 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.818 2.345 . . . . 0.0 112.421 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -96.77 27.49 3.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.233 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.16 115.15 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.853 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -136.23 7.95 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.672 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.2 11.02 0.61 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.33 10.56 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.536 0.208 . . . . 0.0 111.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -151.31 51.97 0.84 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.264 0.554 . . . . 0.0 110.947 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 14' ' ' LYS . 2.2 mt 56.0 129.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.787 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.73 147.11 98.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.306 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.84 122.83 12.5 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.523 2.149 . . . . 0.0 112.185 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.89 163.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.349 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.61 19.75 58.46 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.262 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.46 136.59 54.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 110.607 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.85 129.5 41.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.924 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 28.89 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.26 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.396 179.729 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.23 30.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.794 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.27 169.2 15.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -13.54 62.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -101.48 -31.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.404 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -153.35 -174.24 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 111.54 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.412 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 81.0 p -171.77 121.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.2 m-70 -130.53 -165.72 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -138.74 155.79 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.23 156.42 16.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 p -111.5 16.0 20.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.73 27.5 4.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.837 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -113.44 -36.56 4.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 m -146.06 171.25 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 51.2 m -94.66 11.06 32.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -101.26 96.16 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.812 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 42.6 t -57.57 134.65 82.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.71 156.67 26.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.567 2.178 . . . . 0.0 112.378 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -96.56 22.11 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.216 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -140.82 143.1 30.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.506 2.137 . . . . 0.0 112.351 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.14 179.54 41.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.91 4.48 6.08 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.725 2.283 . . . . 0.0 113.274 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -124.07 19.17 9.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.579 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.1 m -132.86 135.39 45.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -53.81 -79.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -140.6 6.63 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.769 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.3 t -179.67 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -113.87 158.31 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' CD2' ' CA ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -58.8 127.85 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.654 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.38 142.31 86.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.537 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.7 123.37 13.22 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.566 2.177 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.38 161.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.31 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.17 18.44 67.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.363 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -125.32 128.26 47.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 12.7 t -45.53 115.87 1.04 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.491 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 13.1 p -84.52 -40.16 17.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.453 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.52 -73.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.644 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.02 28.04 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 t -56.55 173.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -82.21 56.07 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.22 -37.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.0 m -128.28 -176.51 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.509 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -165.93 128.85 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 21' ' ' THR . 10.8 m-70 -137.66 152.97 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -106.62 131.18 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.103 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.65 148.54 46.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.625 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -104.13 16.77 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.02 51.16 8.66 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.808 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -147.02 -43.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 111.459 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.405 ' CA ' ' CD2' ' A' ' 15' ' ' LEU . 33.2 t -131.32 157.21 43.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.194 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -7.14 55.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.226 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -80.8 155.16 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.83 133.89 22.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.89 178.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.392 2.061 . . . . 0.0 112.184 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -109.87 31.04 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -165.33 147.67 6.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.302 0 C-N-CA 122.533 2.155 . . . . 0.0 112.339 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.28 177.21 48.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.23 -28.74 64.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.479 2.119 . . . . 0.0 112.243 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.73 -32.7 35.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.933 0.397 . . . . 0.0 110.5 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 140.8 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.69 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.08 -70.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.79 -23.07 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t 178.91 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -113.13 141.76 46.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.65 129.99 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.069 0.462 . . . . 0.0 111.25 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.1 162.16 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.24 128.27 23.42 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.484 2.123 . . . . 0.0 112.286 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 149.15 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.03 24.35 76.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.341 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -121.74 123.1 41.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.749 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.432 ' N ' ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.62 115.59 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.1 p -101.56 -42.71 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.024 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.62 -69.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tttt 57.6 30.14 18.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.409 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 5.3 m -59.43 135.41 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.782 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -51.14 -26.53 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.159 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -97.62 -22.05 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.395 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -159.09 107.92 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 111.282 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m -98.67 125.64 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -122.7 -170.55 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.432 ' CE2' ' N ' ' A' ' 21' ' ' THR . 9.8 m-85 -148.23 154.16 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.774 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -91.64 147.55 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.66 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -107.42 22.98 15.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.59 26.6 7.71 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.778 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -115.09 -62.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.978 0.418 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.58 170.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -100.48 15.91 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -120.67 104.42 9.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 m -50.89 141.11 19.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.11 177.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.466 2.111 . . . . 0.0 112.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -114.16 34.73 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -148.83 147.77 25.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.49 2.127 . . . . 0.0 112.316 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.836 0.351 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -156.67 26.82 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.423 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.29 -24.7 12.13 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.85 2.366 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.1 -24.04 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -97.03 121.41 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -152.07 22.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -153.23 18.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.1 t 76.05 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -163.38 107.16 1.03 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.195 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -37.93 123.67 1.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -44.96 166.4 0.13 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.323 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -69.91 148.12 63.37 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.821 2.347 . . . . 0.0 112.434 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 160.85 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.04 58.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.497 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -119.21 132.96 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.91 128.36 32.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.8 -39.68 4.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -94.55 -72.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 53.01 34.1 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.42 ' CG2' ' CB ' ' A' ' 28' ' ' SER . 14.5 t -55.86 164.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -21.01 66.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.422 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -121.46 27.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.648 0.261 . . . . 0.0 111.532 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.42 ' CB ' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER 178.89 -171.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -177.73 112.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -125.84 134.22 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CE2' HG21 ' A' ' 21' ' ' THR . 3.7 m-85 -81.76 170.72 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 157.88 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 p -116.59 20.34 14.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.59 37.07 13.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.749 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -117.18 -37.69 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -164.24 172.89 13.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -71.17 -32.36 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.06 106.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.4 m -79.09 147.69 70.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 177.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.548 2.165 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -114.4 28.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.98 148.18 14.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.271 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.694 0.283 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.89 -148.53 17.68 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.836 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -86.83 -33.3 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.989 2.459 . . . . 0.0 113.6 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -94.95 31.83 1.79 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.167 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.09 120.54 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.395 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -46.58 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 10.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -132.71 133.88 44.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.35 137.46 4.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.86 147.52 23.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.629 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.04 126.62 22.09 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.661 2.241 . . . . 0.0 112.258 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.66 158.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.394 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.44 17.51 70.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -126.72 128.96 47.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.648 0.261 . . . . 0.0 110.565 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 13.3 t -50.93 134.93 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.477 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 28.0 p -105.91 -41.69 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.53 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.438 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -97.23 -53.2 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 111.289 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.452 ' N ' ' HA ' ' A' ' 29' ' ' SER . 15.8 ttpt 49.58 27.81 2.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.1 m -63.95 164.55 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.9 m -83.84 51.57 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' A' ' 26' ' ' SER . 8.1 p 172.23 -35.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -79.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.079 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.452 ' HA ' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER 59.89 116.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 9.4 m-70 -139.3 154.02 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.076 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.4 m-85 -102.42 125.2 49.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.57 144.34 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 p -101.57 18.27 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.25 37.7 8.27 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.828 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.81 -42.96 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -143.43 171.92 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.4 t -85.52 -0.11 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.473 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -86.79 141.27 28.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.5 m -107.27 136.54 19.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.42 178.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.156 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -107.68 28.93 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -162.94 144.1 7.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.725 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.345 0.352 0 C-N-CA 122.495 2.13 . . . . 0.0 112.4 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.12 -161.9 28.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.92 -24.18 46.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.441 2.094 . . . . 0.0 112.175 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 38.0 t -112.57 27.75 9.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.8 m -151.72 104.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -141.2 20.8 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -148.59 15.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.402 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 68.63 20.05 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.48 103.93 2.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.226 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -36.47 118.64 0.56 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.408 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -47.8 150.1 2.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.59 133.93 41.98 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.555 2.17 . . . . 0.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.62 165.01 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.09 18.35 47.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.41 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.1 m -124.66 130.17 51.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.772 0.32 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.6 t -56.73 127.18 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.3 p -105.28 -28.68 10.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.7 OUTLIER -95.94 -69.17 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp 59.36 27.95 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.018 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.446 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 6.8 m -59.8 133.73 56.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.709 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -50.14 -26.69 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -97.27 -22.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -158.75 108.64 2.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.613 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.7 p -97.92 133.92 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -131.19 170.88 13.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -120.61 133.2 55.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -85.7 164.81 17.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -119.63 19.57 12.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 47.1 18.52 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.851 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 mtt85 -132.68 -46.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 p -132.87 158.99 41.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -68.52 -29.91 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.43 147.64 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.98 141.95 25.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.86 179.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.522 2.148 . . . . 0.0 112.24 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.24 -26.84 13.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -92.06 147.43 34.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 C--N 1.345 0.364 0 C-N-CA 122.589 2.193 . . . . 0.0 112.359 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.47 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.59 -18.54 42.86 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.671 2.247 . . . . 0.0 112.993 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -115.36 22.47 13.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.047 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -129.32 -1.0 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -144.57 9.93 1.4 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t 67.45 19.33 10.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 15' ' ' LEU . 10.4 ttmm -147.19 47.42 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.284 0.564 . . . . 0.0 110.835 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' LYS . 12.2 mt 53.51 136.56 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.105 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -74.34 139.8 75.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.67 121.97 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.478 2.118 . . . . 0.0 112.282 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.92 165.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.67 20.98 57.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.058 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.4 m -120.94 126.47 50.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.426 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.75 113.2 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.311 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 p -97.46 29.32 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.439 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -177.12 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.369 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' CA ' ' HA ' ' A' ' 29' ' ' SER . 16.4 ptpt 47.88 29.31 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.062 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 m -59.97 126.72 28.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.434 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -50.01 -25.49 3.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.764 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -107.98 20.63 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 111.348 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.433 ' HA ' ' CA ' ' A' ' 24' ' ' LYS . 23.1 t 66.22 114.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 6.2 m-70 -129.54 -169.26 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CE2' HG21 ' A' ' 21' ' ' THR . 17.1 m-85 -148.31 145.8 28.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.99 147.37 27.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.573 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 p -103.81 16.24 26.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.45 27.07 3.96 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.812 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.85 -35.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.3 p -140.12 172.69 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.682 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.9 m -100.4 16.68 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.839 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.67 99.9 8.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 25.3 t -53.15 123.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 19.8 Cg_endo -60.58 168.47 6.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.59 2.193 . . . . 0.0 112.529 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m -99.96 27.71 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.416 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 22.8 p90 -135.22 144.88 51.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.829 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.513 2.142 . . . . 0.0 112.329 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 159.91 23.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.15 -28.29 60.36 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.229 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 43.3 t -98.57 33.66 2.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.223 0.535 . . . . 0.0 110.538 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -130.88 142.88 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 20.9 ttt180 -97.23 42.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 1.7 mt-30 85.74 -25.89 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.411 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 35.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.261 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -159.3 115.05 2.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.817 0.342 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 36' ' ' SER . 2.3 tt -47.06 105.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -48.83 142.66 8.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.35 134.3 41.33 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.47 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 165.99 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.22 14.31 59.25 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.51 122.85 42.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.811 0.339 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.87 121.71 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 -179.736 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -114.48 43.16 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -175.02 -72.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 10.2 pttm 47.26 33.06 2.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -45.6 168.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.179 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 7.9 t -79.43 55.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.4 p 169.32 -32.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.2 -169.44 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -175.11 120.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.9 m-70 -128.38 165.1 21.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.275 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 21' ' ' THR . 9.2 m-85 -123.65 163.38 21.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.275 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.27 145.69 28.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -102.24 13.32 34.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.29 27.77 2.91 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.964 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -138.05 10.46 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.419 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 12.2 t 179.24 158.54 0.61 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.746 0.308 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.0 m -90.87 7.32 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -102.19 95.03 6.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.4 t -46.52 123.02 7.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.7 171.26 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.562 2.174 . . . . 0.0 112.509 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -102.49 24.38 10.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.13 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -135.83 144.81 50.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 C--N 1.344 0.3 0 C-N-CA 122.519 2.146 . . . . 0.0 112.335 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.888 0.375 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.79 -175.09 25.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -25.67 16.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.6 2.2 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.78 53.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -176.13 126.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.625 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -128.7 -14.56 4.57 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -176.3 34.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.657 0.265 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -157.93 117.29 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.771 0.32 . . . . 0.0 110.673 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.21 116.24 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -47.15 137.17 8.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.025 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.72 142.59 70.92 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.471 2.114 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 167.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.23 22.18 49.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -129.58 134.12 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.39 118.41 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -98.58 -33.02 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -105.42 -71.59 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 60.79 27.66 17.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.4 m -58.44 162.4 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -47.02 -44.76 20.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.427 . . . . 0.0 111.038 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.93 -22.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 88.57 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 111.582 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 t -103.79 105.57 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.957 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.1 m-70 -129.14 146.02 51.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.281 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 5.6 m-85 -92.9 169.94 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -98.58 151.34 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -108.72 14.12 24.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.17 3.96 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.763 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.07 -33.46 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.63 0.252 . . . . 0.0 111.541 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 p -161.2 172.18 17.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.206 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.2 m -78.88 -8.06 58.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.395 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.03 101.7 11.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.809 0.338 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.69 149.45 95.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.1 178.12 4.46 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.25 -29.39 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -94.43 148.32 34.78 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 122.584 2.189 . . . . 0.0 112.355 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.14 -154.15 25.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.637 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.16 -46.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.835 2.356 . . . . 0.0 113.146 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.78 49.26 1.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.397 . . . . 0.0 111.286 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 30.5 p -177.92 138.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.012 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 164.55 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 67.63 -73.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.49 35.16 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.18 143.48 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.81 137.87 9.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -68.78 143.94 95.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 145.65 97.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.28 169.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.93 19.32 50.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -127.33 128.19 45.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.711 0.291 . . . . 0.0 110.279 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.78 123.03 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 0.0 111.099 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.03 -28.86 13.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.98 -70.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.501 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.76 35.63 21.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 ' CG2' ' CB ' ' A' ' 28' ' ' SER . 1.8 t -56.17 174.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -52.08 -40.54 61.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.265 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -108.88 -48.59 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' CB ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.1 -177.04 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.37 . . . . 0.0 111.176 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 p -177.06 108.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.3 m-70 -124.31 141.64 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.02 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -95.88 159.87 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.83 144.52 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.8 p -100.25 14.84 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.34 54.07 8.94 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.883 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -153.93 -50.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.0 173.87 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.983 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -91.56 8.13 38.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.314 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.11 117.54 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.808 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.53 130.22 54.37 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.41 -179.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.34 2.027 . . . . 0.0 111.929 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.01 36.98 2.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -168.42 147.25 3.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.802 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.527 2.152 . . . . 0.0 112.365 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.938 0.399 . . . . 0.0 111.497 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 -170.75 22.82 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.15 -35.44 11.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.7 2.266 . . . . 0.0 112.127 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -82.29 -30.79 30.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 103.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -70.1 -11.52 60.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.442 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 173.95 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.1 t -178.07 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.813 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.94 118.2 36.12 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.54 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.61 114.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.55 149.59 0.59 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.046 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.58 140.21 36.76 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.827 2.351 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.6 171.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.03 18.84 42.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.398 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -120.56 114.16 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.731 0.3 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.1 t -47.57 108.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -94.05 42.44 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.329 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' H ' ' HA ' ' A' ' 29' ' ' SER . 3.1 tptm 54.21 34.36 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.689 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.77 65.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.185 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.48 -55.96 0.47 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 28' ' ' SER . 9.5 p -133.59 -44.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.207 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.417 ' HB2' ' CE3' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -68.98 90.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.403 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 54.3 p -119.0 131.36 56.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.026 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.3 m-70 -135.98 111.98 9.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.947 0.403 . . . . 0.0 111.329 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.5 m-30 -59.77 121.02 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 158.97 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.9 p -104.9 16.22 26.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.82 27.19 4.61 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.851 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -119.7 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -135.06 153.43 52.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -75.62 -8.3 56.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.36 172.42 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.337 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.4 m -135.72 128.87 18.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.324 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.97 178.1 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.444 2.096 . . . . 0.0 112.015 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 p -104.01 19.23 20.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.7 144.07 25.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.574 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.519 2.146 . . . . 0.0 112.499 -179.755 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.872 0.367 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 176.48 15.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.46 -7.23 19.35 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.782 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.533 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -123.06 54.1 1.26 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -179.3 120.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.408 . . . . 0.0 111.393 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.329 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -53.05 95.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.225 0.536 . . . . 0.0 111.289 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t 43.37 58.11 3.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.07 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 119.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 110.789 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tp -47.04 120.04 2.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.812 0.339 . . . . 0.0 110.251 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.14 135.03 49.9 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.21 127.34 21.8 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.454 2.103 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.89 152.11 2.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.46 78.97 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -130.27 118.53 21.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.3 t -45.78 94.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.7 p -65.19 -39.66 93.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.96 -69.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.729 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.14 28.97 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.291 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.6 m -53.18 152.09 4.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.947 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -45.87 -30.23 1.64 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.89 27.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.17 90.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.474 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.402 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 p -100.63 123.75 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -130.55 122.74 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 111.467 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -73.5 133.31 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.338 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.6 t -68.73 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.8 p -104.44 14.25 30.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 44.53 29.7 1.91 Allowed Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.803 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -119.64 -28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.495 0.188 . . . . 0.0 111.502 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.6 t -162.95 175.04 11.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.947 0.403 . . . . 0.0 111.377 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.99 -5.52 57.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.419 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.18 120.89 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.787 0.327 . . . . 0.0 110.959 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 m -84.93 142.22 38.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.07 172.35 14.08 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.546 2.164 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.17 27.42 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -153.1 141.82 14.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--N 1.345 0.369 0 C-N-CA 122.399 2.066 . . . . 0.0 112.487 -179.823 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 -155.33 7.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.37 -19.83 12.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.665 2.243 . . . . 0.0 112.753 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 47.3 t -132.77 55.66 1.88 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.811 0.339 . . . . 0.0 111.365 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -122.91 97.18 5.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.834 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -60.4 85.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 69.74 -65.24 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.82 20.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.129 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -155.71 124.82 6.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.66 0.267 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.534 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.14 132.14 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.031 0.443 . . . . 0.0 111.27 -179.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -55.73 168.13 0.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.899 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.06 141.82 65.48 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.56 146.32 36.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.85 79.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.294 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.6 m -118.8 124.46 47.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.21 123.95 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.733 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.06 -27.26 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.41 -74.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 111.49 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 tptt 55.12 35.09 24.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.792 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 28' ' ' SER . 15.2 t -54.7 177.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -60.75 -22.99 64.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.248 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -154.26 47.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.899 0.38 . . . . 0.0 111.562 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.478 ' N ' HG21 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.2 87.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -95.69 122.55 38.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.808 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -116.56 169.73 9.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.92 153.47 44.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 159.47 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 p -114.94 22.23 13.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.25 26.02 8.85 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.781 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -112.89 -68.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -106.42 171.74 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 m -91.06 8.28 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.34 149.83 24.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.665 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.3 m -93.03 119.2 67.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.014 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.91 163.68 24.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.392 2.061 . . . . 0.0 111.87 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -80.83 57.57 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.524 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -123.02 104.36 35.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.447 2.098 . . . . 0.0 112.188 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.89 -153.47 25.38 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.69 -38.96 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.608 2.205 . . . . 0.0 112.831 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 42.1 t -108.82 51.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -129.47 125.52 36.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.986 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.82 68.01 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 70.22 -65.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -146.06 27.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.079 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.23 121.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.57 117.95 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -48.41 145.11 5.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.41 147.59 87.32 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.585 2.19 . . . . 0.0 112.55 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.28 165.68 9.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.1 27.03 50.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.36 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.8 m -130.27 127.47 39.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.291 . . . . 0.0 110.453 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.0 109.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.986 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -88.45 -42.3 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.192 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.72 -60.51 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.428 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.55 30.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.323 -179.705 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.441 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 6.2 m -59.8 141.8 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -26.57 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -96.95 -24.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.265 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 126.64 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 111.32 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 72.5 m -113.34 118.23 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -122.91 150.02 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -98.44 157.22 16.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.398 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.42 171.62 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 111.222 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -125.06 19.33 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.61 40.97 41.36 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.768 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -122.56 -34.55 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 111.312 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 t -166.15 171.56 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.734 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -68.28 -31.95 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.783 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.99 115.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.357 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.89 144.58 33.19 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.61 177.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.465 2.11 . . . . 0.0 112.132 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -113.52 31.38 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -158.29 148.18 15.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.835 0.35 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 178.05 17.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.27 -30.35 10.48 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.546 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -90.16 46.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.17 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 134.02 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -57.85 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -143.48 9.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.807 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -177.8 -33.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.539 0.209 . . . . 0.0 111.539 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -118.12 155.66 30.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -56.02 134.18 52.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 179.853 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -54.5 143.82 45.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.641 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.84 117.56 2.84 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.159 . . . . 0.0 112.518 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.5 110.87 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.316 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 23.24 5.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.231 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.6 m -130.28 135.98 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.675 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.36 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.51 25.39 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.113 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -154.95 -73.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 111.412 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.8 tttt 46.95 47.54 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.631 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -75.92 61.45 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.56 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 3.0 m 55.46 18.59 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.135 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 26' ' ' SER . 3.8 p 165.88 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.012 0.434 . . . . 0.0 110.612 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 23' ' ' TRP . 59.8 m -82.41 85.61 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.638 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.486 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 18.9 p -112.48 137.55 50.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -143.98 124.99 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.0 130.26 40.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -71.33 156.83 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 p -108.77 13.9 24.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.24 27.92 2.92 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.902 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -116.26 -31.76 5.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 111.222 -179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 p -153.18 166.37 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -79.84 -6.24 56.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.369 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -82.1 114.52 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.66 147.13 54.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.83 144.23 56.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.401 2.068 . . . . 0.0 112.199 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 p -78.93 -29.85 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -100.05 140.76 21.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.315 0 C-N-CA 122.419 2.079 . . . . 0.0 112.405 -179.891 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.0 28.5 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.2 -14.49 44.06 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.687 2.258 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 48.5 t -117.35 47.18 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 142.02 47.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -90.23 44.48 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 71.36 4.71 5.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.586 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.24 -28.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.574 0.226 . . . . 0.0 111.376 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.71 135.72 53.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -54.54 112.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.646 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.84 146.11 4.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.985 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.09 144.25 92.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.657 2.238 . . . . 0.0 112.654 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.11 171.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.62 18.24 37.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.47 -179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -118.4 129.49 55.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.34 128.55 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 p -108.67 26.21 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -164.66 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 179.672 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 6.7 ttpt 49.53 28.07 2.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.474 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.82 169.11 12.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.005 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -69.86 -22.39 63.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -94.01 -31.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 1.1 m -151.77 177.79 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.134 0.492 . . . . 0.0 111.614 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 14.7 m -165.47 121.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.346 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.1 m-70 -131.59 -177.73 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 111.25 -179.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -123.87 167.16 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.31 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.58 169.49 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 111.142 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -122.3 15.31 10.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.29 26.38 4.83 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.886 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 -23.65 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.596 0.236 . . . . 0.0 111.472 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 2.1 m -160.4 152.18 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 110.818 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.3 m -82.67 -1.17 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.216 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.24 75.56 7.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.39 . . . . 0.0 110.748 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.0 t -47.51 118.19 5.63 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.18 159.43 2.76 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.478 2.118 . . . . 0.0 112.309 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 t -97.66 27.78 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -139.9 138.08 19.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.6 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.816 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.767 0.318 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.61 -155.31 25.27 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.68 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.55 -46.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.784 2.323 . . . . 0.0 113.046 -179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -64.63 -49.45 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 111.271 -179.662 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 25.3 p -80.66 136.18 36.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.83 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -146.32 9.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -38.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -126.81 144.37 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.099 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.8 128.84 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.662 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -59.96 156.0 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.48 131.58 38.98 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.487 2.125 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.32 161.0 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.46 9.19 73.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.409 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.8 m -113.41 119.48 37.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 3.6 t -45.18 115.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.313 -179.623 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 8.1 p -92.53 33.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.269 -179.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.07 -71.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.957 0.408 . . . . 0.0 111.515 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.66 28.29 11.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -52.87 152.36 3.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.599 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 9.1 t -77.35 55.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 26' ' ' SER . 6.7 p 166.78 -30.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.18 -74.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.18 117.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.253 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 9.4 m-70 -130.09 -164.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -178.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 7.2 m-85 -150.37 136.78 18.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.923 0.392 . . . . 0.0 111.388 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -79.47 145.37 33.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 p -102.02 16.49 25.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.72 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.27 48.35 20.83 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.674 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.81 -43.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.417 -179.732 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 85.5 p -140.89 162.3 35.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.232 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 43.8 t -77.76 -9.43 59.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -81.74 101.97 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 0.0 111.169 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.34 122.23 82.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.68 163.72 3.69 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.478 2.118 . . . . 0.0 112.33 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -97.42 29.11 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -149.66 143.81 17.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.553 2.169 . . . . 0.0 112.388 -179.982 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.889 0.376 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.83 175.81 35.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 35.6 Cg_exo -59.96 -43.02 39.62 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.554 2.169 . . . . 0.0 112.241 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -33.55 75.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.933 0.396 . . . . 0.0 110.515 179.62 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 128.04 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.915 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -10.57 55.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 168.52 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.459 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -170.55 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -108.37 131.23 54.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.92 117.86 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -47.05 147.1 2.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.22 131.95 44.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.491 2.127 . . . . 0.0 112.272 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.86 164.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.52 13.58 60.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.475 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -121.68 124.34 44.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 12.2 t -48.0 123.77 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -105.86 31.58 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER -174.0 -71.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 111.508 -179.711 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.613 -179.454 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 10.5 m -57.92 132.63 53.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.725 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -47.88 -27.8 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -96.5 -22.14 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.451 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.86 110.17 2.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.876 0.369 . . . . 0.0 111.795 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -98.25 133.26 42.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.178 179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.9 m-70 -133.18 173.17 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.333 -179.204 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.87 137.82 50.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.241 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.8 t -76.37 144.38 40.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -101.46 17.47 22.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.74 34.62 5.44 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.934 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -118.4 -40.35 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 t -139.71 172.89 12.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -94.3 10.4 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.71 100.76 9.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 33.7 t -57.53 110.9 2.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.77 176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.521 2.148 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.18 27.59 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -153.54 146.7 17.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.416 -179.914 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.36 -151.38 11.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.798 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.35 -43.61 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.928 -179.534 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -72.01 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.559 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 24.4 p -66.5 122.38 17.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -54.09 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -144.03 9.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.937 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.76 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 140.29 51.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.17 136.89 8.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.792 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -52.52 141.18 34.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.747 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.53 129.63 27.19 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.516 2.144 . . . . 0.0 112.545 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.4 106.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.76 25.13 3.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -126.46 132.83 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.168 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -52.87 116.95 2.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.517 -179.469 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.8 p -97.36 22.84 8.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.42 -72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? 60.89 25.18 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.749 -179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.3 m -58.77 142.62 49.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -46.76 -27.86 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.19 -16.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.731 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -145.3 104.85 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.853 0.358 . . . . 0.0 111.892 -179.271 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -107.57 110.51 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.058 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -123.36 165.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.642 -178.562 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.6 m-85 -118.97 155.21 31.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 t -90.07 161.72 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 p -116.72 18.32 14.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.14 41.84 11.72 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.761 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -43.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.299 . . . . 0.0 111.3 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -146.11 170.5 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -81.07 -5.38 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.75 104.49 13.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 111.249 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -75.04 123.34 88.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.328 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.89 145.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.649 2.233 . . . . 0.0 112.795 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -96.47 25.57 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -138.11 145.29 47.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 C--N 1.345 0.367 0 C-N-CA 122.539 2.159 . . . . 0.0 112.331 -179.965 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.26 164.63 35.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.8 -28.04 36.86 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.665 2.243 . . . . 0.0 112.5 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.38 -13.86 45.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 110.951 179.487 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -93.95 119.65 33.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.644 179.873 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -59.26 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -117.32 -24.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.936 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.13 34.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -159.22 141.03 13.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.0 114.54 2.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.96 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -58.78 140.59 85.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.635 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -60.78 127.06 21.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.368 2.045 . . . . 0.0 112.56 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.71 118.36 1.78 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.168 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 121.54 3.62 10.19 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.552 -179.603 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 m -113.76 127.11 55.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.766 0.317 . . . . 0.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.3 t -47.75 117.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 6.0 p -99.01 34.38 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -177.11 -71.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.405 . . . . 0.0 111.451 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp 61.3 26.94 16.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.72 -179.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.452 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 5.4 m -59.24 132.29 53.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -48.7 -27.79 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.46 -22.8 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.342 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -159.04 110.14 2.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 111.584 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -98.15 133.97 41.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.344 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.4 m-70 -134.03 170.66 15.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.141 -179.339 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.658 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -127.42 139.87 52.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.023 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.38 141.15 43.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 110.438 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 p -103.18 20.05 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.19 28.23 1.94 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.908 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -106.34 -31.81 8.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -155.28 171.36 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 10.3 m -93.31 9.75 34.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -109.87 91.6 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 16.6 t -46.25 132.96 7.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 38.3 Cg_endo -66.57 173.88 7.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.553 2.169 . . . . 0.0 112.385 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -100.14 30.36 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 14.7 p90 -138.35 148.15 58.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.184 . . . . 0.0 112.321 -179.968 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.25 171.61 39.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.709 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.61 -25.86 61.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.873 2.382 . . . . 0.0 112.692 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' HA ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -91.03 -25.3 19.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.306 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 110.86 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.629 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -69.36 -11.38 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.477 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 169.96 -27.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.676 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -173.6 -29.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.338 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -111.39 130.52 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 0.0 110.575 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.45 124.85 3.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 111.174 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -49.4 146.78 6.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.3 126.7 18.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.189 . . . . 0.0 112.529 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.8 149.23 1.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.151 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.13 4.69 84.07 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.685 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.2 m -111.5 112.46 24.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -56.36 119.26 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -94.95 -36.37 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.456 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -84.69 -77.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.182 -178.642 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 tptt 59.47 22.96 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.544 -179.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.456 ' HB ' ' CD1' ' A' ' 23' ' ' TRP . 9.0 t -52.95 163.31 0.51 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -84.26 57.23 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.221 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p 177.54 -32.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.406 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 t -155.38 93.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.239 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 25.6 p -80.87 158.44 25.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.653 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 38.1 m-70 -147.63 172.22 14.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.968 0.413 . . . . 0.0 111.631 -179.393 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -126.35 133.38 51.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.57 179.863 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 144.14 49.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.742 0.306 . . . . 0.0 110.426 179.826 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -101.19 20.54 15.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.08 27.57 3.65 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.849 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -130.65 -53.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.03 0.443 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -98.04 155.9 16.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.62 12.37 29.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -133.25 113.09 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.836 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -45.88 142.13 3.93 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.32 178.07 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.622 2.215 . . . . 0.0 112.445 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -96.19 25.83 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -153.09 144.6 16.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.684 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.349 -179.892 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.956 0.407 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.94 167.48 37.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.404 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.6 -24.17 60.87 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.625 2.217 . . . . 0.0 112.512 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.85 -27.13 40.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.77 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 138.51 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -86.99 -33.68 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.56 4.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.931 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.19 -34.73 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.696 0.284 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -126.56 145.62 50.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.69 127.11 26.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -53.36 163.05 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.4 134.0 32.0 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.516 2.144 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.05 139.96 21.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.89 21.49 59.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.326 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.3 m -125.24 123.59 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.49 127.66 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.804 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.1 p -115.25 -42.97 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -83.46 -71.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.356 -179.491 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttm 55.39 30.11 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.727 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.415 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 85.5 m -50.19 162.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 22.9 t -80.13 53.45 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.842 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.1 p 168.99 -33.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -137.32 103.16 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -99.22 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.4 m170 -118.36 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.234 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -138.5 166.86 23.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.93 148.99 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.463 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -108.18 21.78 16.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.27 6.94 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.734 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -115.18 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 p -123.37 172.98 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.64 11.41 31.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.6 106.43 13.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -51.71 145.49 15.91 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 69.0 Cg_endo -74.16 178.61 6.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.568 2.178 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -97.71 28.28 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 13.0 p90 -137.13 145.13 48.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.74 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.44 2.093 . . . . 0.0 112.443 -179.871 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 -167.38 34.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.95 -47.25 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.654 2.236 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.08 -70.0 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -55.11 127.08 27.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 7.9 ptt85 -58.33 -28.46 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 14.7 tt0 173.45 -30.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.072 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.67 23.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -166.92 116.93 0.88 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.722 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.27 117.56 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -43.67 152.69 0.43 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.47 128.9 23.62 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.07 25.85 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.313 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -136.22 136.61 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.75 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.18 126.03 25.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.763 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.1 p -108.84 -29.63 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.315 -179.663 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.5 -73.43 0.67 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.744 -179.294 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 57.37 30.53 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.656 -179.321 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.527 HG21 ' N ' ' A' ' 28' ' ' SER . 12.3 t -53.61 172.38 0.07 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -18.26 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.183 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -153.94 47.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.566 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.527 ' N ' HG21 ' A' ' 25' ' ' THR . 0.5 OUTLIER 170.79 91.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -98.5 115.59 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -119.52 147.85 43.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -100.8 153.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.22 147.27 26.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 p -106.99 19.11 20.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.3 48.39 15.78 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.698 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -43.01 1.0 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.676 0.274 . . . . 0.0 111.509 -179.655 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -159.76 174.49 14.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.1 -21.27 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.59 101.64 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -77.14 147.61 76.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -50.93 165.8 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.579 2.186 . . . . 0.0 112.394 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.87 31.36 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -149.11 149.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.989 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.888 0.375 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -169.09 27.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.76 -19.49 41.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.546 2.164 . . . . 0.0 112.609 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.8 t -100.83 -34.85 9.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -59.43 143.13 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.68 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -107.34 -85.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -100.52 -32.22 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.59 35.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.928 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -168.87 125.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.509 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.52 128.5 5.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.129 0.49 . . . . 0.0 111.372 -179.664 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -51.02 162.82 0.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 140.68 93.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.59 159.34 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.83 26.44 65.22 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.116 -179.674 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -125.1 130.81 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.98 114.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.0 p -107.15 34.95 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.273 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.424 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 1.6 t90 -167.05 -70.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.713 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.28 31.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.454 . . . . 0.0 110.899 -179.354 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.424 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -50.52 172.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.062 -179.873 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -82.56 53.72 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.711 179.803 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p 175.52 -35.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.669 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -142.36 133.58 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.227 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 54.7 p -117.8 113.47 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.481 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.7 m170 -113.4 166.42 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.601 -179.094 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.63 155.43 28.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.76 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -123.19 16.39 9.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.49 25.36 13.19 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.782 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -117.67 -43.03 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 155.38 49.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 99.0 m -82.94 -0.18 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -90.8 90.49 7.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 t -47.63 116.09 4.23 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 42' ' ' TYR . 80.9 Cg_exo -47.96 171.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.53 2.154 . . . . 0.0 112.551 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -97.83 26.44 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 40' ' ' PRO . 11.0 p90 -127.64 145.49 55.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.345 0.372 0 C-N-CA 122.513 2.142 . . . . 0.0 112.403 -179.857 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.953 0.406 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.56 165.94 37.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.8 Cg_endo -54.45 -25.34 39.65 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.562 2.175 . . . . 0.0 112.422 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -95.74 18.02 13.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 178.94 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.88 118.93 27.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.665 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.28 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 7.6 tt0 -115.59 -28.31 6.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.947 0.403 . . . . 0.0 110.286 179.292 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 43.2 t 175.4 38.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.829 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -155.2 118.73 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -45.58 113.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.171 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -50.82 143.14 15.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.27 123.92 12.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.513 2.142 . . . . 0.0 112.521 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 32' ' ' CYS . . . -44.66 150.62 0.33 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.86 17.54 80.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.6 m -127.62 121.08 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.515 179.897 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 8.0 t -51.12 126.52 16.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.056 0.455 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.31 -39.59 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.997 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.2 t90 -86.38 -74.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.777 -179.075 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 56.28 23.94 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.505 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 23' ' ' TRP . 10.2 t -54.67 167.16 0.38 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.3 m -84.2 56.73 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.212 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p 178.1 -34.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.343 179.759 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.418 ' O ' HG21 ' A' ' 25' ' ' THR . 4.5 t -153.0 99.95 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 -179.607 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.413 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 18.4 m -86.01 154.76 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.671 179.577 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' C ' ' A' ' 29' ' ' SER . 23.9 m-70 -143.87 -172.2 3.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.832 0.348 . . . . 0.0 111.223 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 4.9 m-85 -141.36 126.48 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -68.98 140.64 55.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.595 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 p -99.85 19.27 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.741 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.06 27.33 2.48 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.89 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -114.81 -28.43 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -146.69 171.39 15.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.629 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 2.2 m -102.25 17.74 22.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -126.27 103.81 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 8' ' ' PRO . 33.6 m -53.65 143.64 37.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.348 -179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.85 178.17 7.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.624 2.216 . . . . 0.0 112.168 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -98.04 35.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.54 144.07 15.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 122.531 2.154 . . . . 0.0 112.324 -179.975 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.803 0.335 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.49 -177.93 34.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.4 -24.13 37.18 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.773 2.315 . . . . 0.0 112.724 -179.81 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 50.9 t -107.5 53.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.428 . . . . 0.0 111.157 -179.832 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.38 115.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.006 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 46.18 87.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.504 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.4 m 34.85 53.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.26 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -153.1 114.0 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.764 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.09 106.11 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.472 179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -56.71 145.33 62.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.303 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.43 131.91 22.72 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.511 2.141 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.56 163.45 0.12 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.74 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.69 9.22 65.06 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.5 m -116.3 118.25 32.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.686 0.279 . . . . 0.0 110.507 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 9.5 t -43.66 96.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.985 0.421 . . . . 0.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' HIS . 8.3 p -60.63 -38.87 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.325 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -105.46 -72.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.449 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttt 71.84 24.63 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.1 m -62.17 148.23 45.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 179.808 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -47.16 -28.59 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.593 -179.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -119.13 -27.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.747 -179.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 92.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.839 -179.194 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.44 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -100.69 123.32 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.746 178.805 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 29' ' ' SER . 5.3 m-70 -137.07 146.52 45.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.991 -178.856 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-30 -98.88 137.2 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 143.22 56.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -94.07 10.47 33.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 44.8 56.1 5.94 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.921 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -169.04 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -133.66 162.51 31.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 111.347 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 28.4 m -82.79 -19.33 37.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.35 138.0 57.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.1 m -107.12 129.76 23.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.003 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.84 178.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.384 2.056 . . . . 0.0 112.103 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -109.19 30.9 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -160.69 146.96 11.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 C--N 1.344 0.321 0 C-N-CA 122.564 2.176 . . . . 0.0 112.397 -179.949 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.989 0.423 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.23 -166.88 20.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.32 -9.45 21.73 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.629 2.219 . . . . 0.0 112.839 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 51.3 t -118.84 -23.31 7.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.64 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.27 137.85 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -121.26 93.51 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 77.86 -57.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -174.9 32.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -161.68 118.3 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.622 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.94 120.13 2.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.758 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -46.24 168.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.18 145.82 79.67 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.614 2.21 . . . . 0.0 112.423 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.14 154.93 18.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 179.533 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.93 18.9 69.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.401 -179.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.2 m -117.56 124.31 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.417 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -50.06 123.94 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 111.005 -179.762 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 23.6 p -111.11 -35.53 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.31 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 -73.26 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.437 -179.571 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.4 tttp 61.45 37.77 16.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -63.02 173.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.877 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.44 39.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.403 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -141.66 -75.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 -179.886 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 43.8 m 53.72 97.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.186 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 6.0 m-70 -131.73 132.61 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.134 -179.306 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 21' ' ' THR . 4.4 m-85 -85.77 160.84 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 162.98 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.673 179.778 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 p -117.78 20.51 13.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 26.74 5.87 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.785 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.76 -36.28 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.5 m -139.39 171.39 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 179.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -91.63 8.11 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 159.0 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.731 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.41 135.33 19.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.99 177.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.199 179.827 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -101.74 24.69 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -149.2 147.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 -179.947 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.92 -162.14 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.24 -25.03 7.47 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.738 2.292 . . . . 0.0 113.031 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 53.7 t -114.82 69.4 0.72 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.76 0.314 . . . . 0.0 111.376 -179.782 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.06 7.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -137.31 6.17 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.58 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.1 t 177.66 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.044 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -112.52 141.29 46.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -50.81 127.55 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -47.28 160.45 0.36 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -74.66 152.07 42.1 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.794 2.329 . . . . 0.0 113.037 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HA ' ' N ' ' A' ' 34' ' ' GLY . . . -58.25 166.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.002 179.45 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.53 18.08 35.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -126.34 114.51 18.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.3 t -49.63 115.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.88 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.421 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 7.5 p -90.16 -30.5 17.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -179.756 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -75.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.321 -179.622 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 4.7 tptt 59.4 27.82 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 t -55.79 168.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.483 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.36 57.51 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.358 -179.532 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.5 p 177.14 -35.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.433 179.697 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -79.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.366 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 1.2 m 79.2 119.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.311 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -135.3 172.64 12.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.679 -178.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -122.93 126.36 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.276 179.51 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.6 153.87 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 111.186 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 p -109.97 21.28 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.509 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' HA ' ' A' ' 18' ' ' ALA . . . 47.34 27.9 4.27 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.825 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -103.02 -32.73 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.6 t -163.3 170.91 16.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.96 -21.36 61.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.23 130.88 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.3 m -95.95 142.87 25.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.96 177.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.177 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -111.47 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -148.52 146.3 22.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.466 2.111 . . . . 0.0 112.348 -179.976 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.734 0.302 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -153.33 20.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.763 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.07 -50.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.791 2.327 . . . . 0.0 113.219 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -49.71 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -179.47 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -81.98 127.09 32.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -54.96 -81.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.46 8.72 1.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.694 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.58 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -121.37 129.46 53.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.13 117.7 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.703 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -48.47 138.43 11.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.59 140.01 75.74 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.616 2.21 . . . . 0.0 112.381 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.96 149.05 0.94 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.05 9.23 85.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.374 -179.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -109.88 116.06 30.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 4.2 t -43.12 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.427 -179.635 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 p -64.09 -17.25 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.454 -179.721 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -76.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.815 -179.671 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 tttt 66.96 22.75 10.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.417 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 28' ' ' SER . 12.2 t -54.67 174.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.1 p -83.85 12.35 6.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.907 -179.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -160.86 28.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.627 0.251 . . . . 0.0 111.381 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.411 ' N ' HG21 ' A' ' 25' ' ' THR . 0.4 OUTLIER 168.15 92.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.073 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -95.64 132.81 40.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.719 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' THR . 7.6 m-70 -126.64 -160.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 11.0 m-85 -154.95 130.24 9.67 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.99 148.99 41.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 p -104.08 18.68 21.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 48.58 17.58 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.82 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.67 -44.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.89 174.49 10.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.821 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.4 -3.22 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.7 121.49 25.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -91.68 115.77 65.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -43.34 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.628 2.218 . . . . 0.0 112.682 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.3 p -104.33 27.27 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -146.5 147.33 30.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.323 -179.955 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 166.64 36.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.25 -21.3 43.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -90.31 -33.07 16.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 110.71 179.836 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -59.66 117.47 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.796 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -64.12 -16.66 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 169.14 -29.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.908 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.78 148.27 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.643 179.792 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.12 125.11 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -52.79 159.76 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 131.21 26.43 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.537 2.158 . . . . 0.0 112.367 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.03 116.55 1.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 16.12 7.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -120.58 136.5 54.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.71 124.7 20.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -179.634 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 p -109.04 25.16 12.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.753 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -73.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.542 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 5.5 ttpm? 63.23 32.49 14.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.63 -179.697 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 28' ' ' SER . 14.1 m -67.56 165.06 17.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.817 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -66.79 -26.58 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.702 -179.454 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 p -131.09 34.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.28 -179.734 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.487 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -148.95 -75.49 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.845 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 53.7 m 51.69 98.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.798 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.0 m-70 -130.2 173.58 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.476 -178.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 26.7 m-85 -129.66 159.34 36.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.047 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 153.38 21.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -111.64 23.26 14.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 28.83 7.51 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.05 -64.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 111.041 -179.902 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 p -128.95 171.9 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.6 m -87.08 3.4 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -92.93 92.47 7.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.65 126.49 13.24 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.746 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 12.4 Cg_endo -56.12 159.8 11.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 112.499 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -97.51 25.38 5.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 38.4 p90 -139.67 147.42 51.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.343 0.276 0 C-N-CA 122.54 2.16 . . . . 0.0 112.298 -179.924 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.89 0.376 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 179.94 39.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.75 -14.69 13.89 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.701 2.268 . . . . 0.0 113.314 -179.467 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -100.67 21.47 13.38 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -132.39 135.11 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 179.707 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -54.83 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 5.4 tt0 -145.65 6.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 45.3 t 177.17 -30.62 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -112.41 154.08 26.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.352 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 120.89 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.624 179.696 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -55.3 146.13 43.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.36 131.84 35.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.515 2.143 . . . . 0.0 112.408 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.38 154.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.61 20.6 77.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.343 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -127.69 131.54 49.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.449 ' CG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.66 140.59 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -140.99 26.92 2.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.508 -179.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.2 t90 -157.95 -65.72 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 6.0 ptpp? 45.81 47.77 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.14 0.495 . . . . 0.0 110.486 -179.252 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.6 m -67.21 64.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.463 -179.365 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m 72.29 -57.01 0.64 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.23 0.538 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.01 -40.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.706 179.828 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.0 87.5 2.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.72 179.792 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.42 110.5 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.698 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -110.78 125.16 53.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.309 -179.179 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 21' ' ' THR . 3.2 m-85 -80.66 151.5 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.25 153.09 32.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 p -105.2 12.88 31.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.617 179.41 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 55.22 7.11 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.77 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -160.08 -41.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.695 -179.744 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.21 153.59 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 111.458 -179.596 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.71 -12.62 61.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.078 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -87.6 108.34 19.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.977 -179.884 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.19 148.2 95.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.751 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 54.0 Cg_exo -52.0 177.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.53 2.153 . . . . 0.0 112.237 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -117.57 36.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 44.4 p90 -152.93 148.29 20.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--N 1.344 0.293 0 C-N-CA 122.588 2.192 . . . . 0.0 112.263 -179.953 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.834 0.349 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.87 -152.51 8.48 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.43 -45.9 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.572 2.182 . . . . 0.0 112.246 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -72.03 -35.65 69.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.048 0.452 . . . . 0.0 110.529 179.631 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -69.19 168.47 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -167.59 -66.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 26.5 mt-30 -98.05 19.44 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.827 179.563 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 82.92 31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.405 -179.296 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -154.05 112.62 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.26 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.517 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.45 118.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.164 0.507 . . . . 0.0 111.994 -179.396 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -46.2 151.11 0.98 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.93 143.15 99.7 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.69 22.95 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -124.21 123.51 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.422 HG21 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -55.19 113.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.736 179.908 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 29.0 p -95.07 -40.72 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.36 -179.449 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -99.19 -58.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.305 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.2 30.2 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.199 -179.618 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.441 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 6.4 m -62.91 141.01 58.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -54.3 -30.71 51.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -89.92 -28.44 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -156.13 107.74 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.539 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -98.89 122.42 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -122.14 -170.42 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.422 ' CE1' HG21 ' A' ' 21' ' ' THR . 9.6 m-85 -142.46 157.13 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.72 179.864 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.8 148.21 24.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.764 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.6 p -103.95 15.98 27.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 33.92 6.75 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.937 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 -46.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.369 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 172.59 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.799 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 94.0 m -103.97 17.98 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -112.94 98.88 7.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.755 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.8 137.54 83.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 177.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.404 2.069 . . . . 0.0 112.178 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -111.72 37.69 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -162.6 149.52 10.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.344 0.302 0 C-N-CA 122.565 2.177 . . . . 0.0 112.339 179.96 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.839 0.352 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.84 166.78 15.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.624 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.61 -8.97 24.75 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.756 2.304 . . . . 0.0 112.915 -179.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.01 42.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.807 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -176.89 131.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 106.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.05 179.352 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 70.37 -68.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 109.849 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -163.85 31.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.474 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.56 116.3 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -44.44 100.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 140.16 69.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.64 135.69 58.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.519 2.146 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.2 164.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.48 17.04 56.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.401 -179.638 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -120.69 136.14 54.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.442 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.92 128.02 34.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.345 -179.569 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 p -109.98 24.19 13.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.961 179.662 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -165.1 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.565 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 55.44 33.38 20.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.728 -179.616 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.474 HG21 ' N ' ' A' ' 28' ' ' SER . 15.3 t -52.77 177.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -61.5 -22.76 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.272 -179.147 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -154.24 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.811 0.339 . . . . 0.0 111.575 -179.5 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.474 ' N ' HG21 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.11 86.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.056 179.837 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -94.41 130.26 40.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.793 179.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 9.9 m-70 -122.8 -176.72 3.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -131.97 155.72 47.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.09 -179.725 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.08 150.68 23.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -109.26 16.51 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.743 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.4 37.34 8.3 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.86 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -118.13 -39.25 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 -179.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.26 170.45 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.76 -10.24 59.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.377 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.64 119.43 21.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -86.3 113.7 53.64 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 179.746 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 91.0 Cg_exo -44.02 163.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.662 2.242 . . . . 0.0 112.672 -179.742 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.411 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 1.6 m -101.0 29.42 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 40' ' ' PRO . 16.2 p90 -133.87 146.79 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 C--N 1.345 0.375 0 C-N-CA 122.584 2.189 . . . . 0.0 112.376 179.982 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 120.959 0.409 . . . . 0.0 112.089 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.61 -147.67 5.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.507 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.42 -20.59 5.79 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.772 2.315 . . . . 0.0 113.209 -179.552 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -106.3 41.24 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.817 0.341 . . . . 0.0 111.467 -179.49 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 p 176.66 177.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.777 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 179.94 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.41 6.16 24.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t 68.08 44.64 1.43 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -167.55 51.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 111.197 179.609 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 39.54 105.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.329 179.248 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.21 146.08 3.27 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.997 179.422 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.01 139.09 77.11 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.565 2.177 . . . . 0.0 112.513 -179.798 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 169.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.76 19.79 44.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.411 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.5 m -118.5 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.22 127.69 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.764 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -110.94 28.09 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.603 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.47 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.99 0.424 . . . . 0.0 111.137 179.74 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttt 51.49 26.84 3.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 -179.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 172.72 1.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.014 -179.784 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -20.1 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.84 -27.62 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.365 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.603 ' HB3' ' CE3' ' A' ' 23' ' ' TRP . 11.1 t -148.61 -170.14 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.098 0.475 . . . . 0.0 111.738 -179.088 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p 179.55 122.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.305 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -131.71 -167.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.083 -179.23 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.99 162.09 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.18 156.19 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 p -112.26 16.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.95 48.97 18.49 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.839 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -138.31 -45.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.232 -179.809 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -142.3 165.45 27.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 54.1 m -83.82 -1.13 53.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.471 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.86 83.16 6.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.3 t -57.93 136.24 83.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.03 147.35 5.15 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.567 2.178 . . . . 0.0 112.62 -179.764 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.73 18.07 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -144.08 144.3 25.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.467 2.111 . . . . 0.0 112.393 -179.921 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 179.82 19.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.03 -23.58 15.9 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.654 2.236 . . . . 0.0 112.574 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -100.89 47.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.005 0.431 . . . . 0.0 111.041 -179.891 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 130.8 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -58.3 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 1.7 tm0? -142.74 7.0 1.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.725 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 50.6 t 177.09 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.241 . . . . 0.0 111.379 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -115.04 157.02 24.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 110.975 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.06 128.67 38.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.657 179.811 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -52.7 145.74 20.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.636 179.883 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.14 122.07 10.97 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.128 . . . . 0.0 112.3 -179.861 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.75 1.88 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.36 25.86 64.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.182 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -131.2 136.83 48.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.298 . . . . 0.0 110.645 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.44 ' CG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.05 124.95 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.805 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.5 p -104.32 -41.0 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 -179.824 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -72.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 111.242 -179.801 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 62.66 30.93 16.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.857 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -64.29 172.61 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER -86.75 46.83 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.6 p 173.42 -35.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -76.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.129 -179.7 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 71.0 m 59.48 97.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.976 -179.805 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.1 m-70 -131.31 169.89 15.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.292 -179.182 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CE2' ' CG2' ' A' ' 21' ' ' THR . 5.7 m-85 -118.26 159.33 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.663 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 149.84 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 p -109.36 17.72 21.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.61 179.489 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 49.78 16.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.765 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -138.3 -45.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.428 -179.799 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.28 162.56 34.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.733 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.42 -7.42 57.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.376 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.25 102.16 12.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -62.11 144.89 93.99 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -51.77 171.22 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.4 m -111.13 23.76 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -149.7 146.2 20.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.761 179.891 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.5 2.133 . . . . 0.0 112.343 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.0 mtm -140.55 94.68 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -100.24 32.28 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 m -90.57 -27.03 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.91 66.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 145.07 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 176.95 33.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.04 -28.54 19.04 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.421 2.08 . . . . 0.0 112.168 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 179.246 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -97.22 114.68 26.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.583 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -54.67 -23.89 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 167.75 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.795 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -177.57 34.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.716 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -156.53 116.73 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -46.46 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -51.92 149.14 9.44 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.61 131.57 30.01 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.562 2.175 . . . . 0.0 112.403 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.53 154.51 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.78 24.54 72.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.352 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.7 m -124.4 125.96 45.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.441 ' N ' ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.19 112.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.791 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.1 p -99.41 -41.95 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -91.06 -70.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 58.21 28.91 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -59.31 135.18 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 p -52.69 -34.81 53.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -87.02 -19.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -163.78 115.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.954 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -102.49 132.59 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.7 m-70 -132.18 -168.52 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.9 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.441 ' CE1' ' N ' ' A' ' 21' ' ' THR . 7.1 m-85 -149.59 155.52 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.784 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.66 146.2 23.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.482 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.7 p -107.06 21.62 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.87 27.29 4.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.745 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -114.99 -27.9 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.707 0.289 . . . . 0.0 111.254 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 t -147.27 173.76 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -102.23 17.63 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -127.12 104.84 8.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.2 m -51.42 145.83 13.62 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 173.88 10.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.581 2.187 . . . . 0.0 112.287 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 p -97.81 25.79 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -143.84 148.3 41.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.33 136.77 29.62 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -100.3 75.31 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -137.7 31.39 2.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.7 tpp -131.86 35.61 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -85.97 156.4 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.439 ' O ' HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -104.66 -13.54 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 4' ' ' CYS . 0.7 OUTLIER 60.15 130.33 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.978 0.418 . . . . 0.0 110.952 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.3 161.32 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.44 -158.8 27.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.399 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.29 -23.98 17.19 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 0.0 112.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -97.16 -33.83 11.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.86 159.13 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -174.66 -42.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 18.2 mt-30 -94.2 14.84 18.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 26.0 t 76.9 27.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.5 105.38 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.33 117.77 0.74 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -42.46 146.17 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.413 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.43 136.18 74.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.561 2.174 . . . . 0.0 112.494 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 114.02 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.68 18.73 5.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -128.21 135.64 49.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.412 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.65 130.62 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 31.4 p -110.22 -27.97 8.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -71.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 111.343 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp 55.37 32.82 19.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 28' ' ' SER . 14.5 t -55.22 177.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 t -62.11 -21.75 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.195 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 t -154.16 47.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.881 0.372 . . . . 0.0 111.619 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.467 ' N ' HG21 ' A' ' 25' ' ' THR . 0.5 OUTLIER 174.44 86.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.062 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -94.3 133.2 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -134.78 155.96 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -107.0 155.76 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 153.13 17.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -112.58 19.38 17.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.49 49.02 16.35 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.735 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 -46.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.312 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -153.31 173.75 15.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.7 m -72.71 -19.61 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.255 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.81 118.03 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.14 141.68 31.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.76 171.42 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.442 2.095 . . . . 0.0 112.259 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -105.31 26.32 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -160.16 141.9 9.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.96 -74.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.514 2.142 . . . . 0.0 112.385 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.22 68.82 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -30.87 69.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.468 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 ttt -166.18 -65.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 t70 63.77 134.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.6 m 61.54 118.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 m -57.43 165.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.682 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.12 136.67 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.99 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.09 169.64 30.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.51 -27.37 68.54 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.684 2.256 . . . . 0.0 112.243 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.5 t -86.92 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 143.2 37.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -78.55 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -130.46 -0.58 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.685 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -179.54 -36.67 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.691 0.281 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -126.44 150.32 48.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.79 0.328 . . . . 0.0 110.742 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.42 142.61 4.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -60.48 163.76 8.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.69 130.18 32.26 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.492 2.128 . . . . 0.0 112.272 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.79 153.64 0.39 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.73 17.19 78.05 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.224 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.1 m -121.01 119.6 32.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.51 134.16 55.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 p -107.8 -36.67 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.277 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -93.98 -69.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 111.333 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 52.06 26.91 4.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 t -59.65 177.51 0.21 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -64.41 -20.11 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.391 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.2 t -153.38 45.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB3' ' CE3' ' A' ' 23' ' ' TRP . 1.0 OUTLIER 172.16 87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.286 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 83.9 p -105.97 135.57 47.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -136.06 157.27 47.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -110.66 160.94 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.0 m -92.7 148.38 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -109.27 20.58 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.511 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.97 31.92 5.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 -125.27 -42.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -141.46 163.06 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.6 m -92.05 8.32 38.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.87 101.28 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.822 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.1 m -57.68 135.05 82.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 178.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.448 2.098 . . . . 0.0 112.286 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 p -109.42 29.69 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -162.2 144.19 8.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.707 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.51 112.75 3.61 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.5 2.134 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.12 117.27 5.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.5 -46.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.546 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.82 0.343 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 21.9 mtm -163.64 -177.61 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t70 60.39 169.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m -62.5 163.11 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 m -165.48 93.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.26 96.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.299 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.78 -164.47 11.07 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.653 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.99 -5.12 16.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.783 2.322 . . . . 0.0 113.137 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -108.49 -36.36 6.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.751 0.31 . . . . 0.0 111.1 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.0 m -99.96 114.45 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 111.178 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -115.47 -12.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 14.4 mt-30 -136.89 13.23 3.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER 80.13 36.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.881 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 15' ' ' LEU . 15.9 tttm -158.66 84.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.501 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -18.09 125.6 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.253 -179.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -47.42 144.34 4.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.52 125.68 12.86 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.59 2.193 . . . . 0.0 112.613 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.31 123.8 10.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.038 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.3 24.11 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.234 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -129.59 142.68 50.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.715 0.293 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.45 139.28 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.999 0.428 . . . . 0.0 111.153 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.07 -40.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.302 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -112.44 42.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.714 -179.223 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -67.58 66.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.743 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.426 ' CG2' ' CB ' ' A' ' 28' ' ' SER . 10.1 t -77.48 174.07 11.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -64.2 -21.35 66.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.503 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -131.97 34.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 111.498 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.426 ' CB ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER 177.63 173.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 59.0 p -178.85 117.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.736 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -120.82 158.25 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -104.72 129.24 52.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 153.04 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.736 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 p -105.02 18.82 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.04 39.33 11.66 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -136.16 -57.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -115.67 171.71 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.705 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 4.4 m -103.74 17.65 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.27 104.54 13.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.83 133.73 95.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 178.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.435 2.09 . . . . 0.0 112.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.73 30.86 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.65 144.53 14.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.763 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.67 138.12 28.65 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.505 2.137 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.83 175.56 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 60.24 78.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.56 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.833 0.349 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.4 mtp -64.1 177.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -103.88 78.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 4.5 p -57.52 147.56 26.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.421 ' HB ' ' CB ' ' A' ' 37' ' ' CYS . 86.7 m -116.92 98.47 6.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.376 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.92 95.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.287 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.58 -157.96 9.15 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.683 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.8 Cg_endo -68.95 -53.3 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.675 2.25 . . . . 0.0 112.792 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -30.44 70.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.955 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.86 136.49 34.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -94.56 -71.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.417 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 10.2 mt-30 -119.54 -25.82 5.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.947 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 53.3 t 161.16 47.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.05 0.54 . . . . 0.0 109.619 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -166.69 127.82 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -47.67 116.84 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.891 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -50.32 143.82 12.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.631 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.51 124.07 14.86 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.359 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.56 160.12 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.7 23.52 65.32 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.163 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -124.53 126.45 45.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.487 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.427 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -52.14 113.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.293 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.72 24.43 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -166.65 -73.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.719 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 60.49 28.59 18.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 98.6 m -53.83 155.93 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 18.8 t -77.68 55.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 26' ' ' SER . 8.0 p 170.15 -33.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -139.16 103.31 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.936 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -98.68 129.76 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.474 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.1 m-70 -126.42 -172.79 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.303 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CE2' HG21 ' A' ' 21' ' ' THR . 11.3 m-85 -149.62 141.75 24.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.96 146.46 35.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 p -100.21 16.92 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.57 27.06 4.14 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.65 18.8 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.748 0.308 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.408 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -177.47 156.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' CB ' ' HB ' ' A' ' 5' ' ' THR . 1.5 m -101.93 17.09 24.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.818 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -114.84 93.72 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 17.0 t -50.7 106.92 0.7 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 84.4 Cg_exo -46.3 166.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.618 2.212 . . . . 0.0 112.64 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.3 m -98.38 29.96 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 20.7 p90 -137.01 146.96 56.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.13 147.93 43.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.338 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.72 -159.0 53.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -128.98 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.534 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.845 0.355 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.82 154.13 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -133.01 33.64 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.0 m 60.65 176.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 105.7 5.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.56 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 p -89.26 160.54 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 37' ' ' CYS . . . 144.08 -176.82 23.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.462 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.35 -35.64 6.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.572 2.182 . . . . 0.0 112.845 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 45.1 t -97.83 41.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 1.5 m -145.57 146.11 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -89.51 49.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 73.18 6.26 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.727 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t -173.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.716 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -123.7 139.43 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 111.18 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.36 126.6 13.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.999 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -57.35 166.4 1.64 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.736 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.38 116.81 3.58 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.553 2.169 . . . . 0.0 112.336 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.66 121.09 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 131.05 -4.57 5.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.777 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -116.54 151.38 36.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 110.491 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.68 127.49 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.003 0.43 . . . . 0.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -110.91 28.74 8.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.01 -74.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.629 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' H ' ' HA ' ' A' ' 29' ' ' SER . 45.9 tttm 47.89 33.37 3.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.465 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 66.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.515 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 77.33 -56.32 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.011 0.434 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 28' ' ' SER . 8.9 p -133.71 -44.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.409 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.84 85.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.534 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 16.0 p -114.77 127.3 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.1 m-70 -136.39 129.15 30.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 3.3 m-85 -69.98 159.13 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.94 142.42 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 15.47 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 42.91 36.21 2.5 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.938 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.51 -49.94 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 111.271 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.98 166.47 24.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 3.3 m -77.21 -25.97 52.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.47 102.06 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.5 m -60.72 147.62 83.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.657 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.76 169.52 7.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.389 2.059 . . . . 0.0 111.949 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.89 19.43 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.323 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -143.81 140.85 17.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.76 142.48 28.71 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.503 2.135 . . . . 0.0 112.333 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.55 56.86 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -99.96 -33.27 10.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 36.4 mtt -100.91 147.0 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -86.19 79.61 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m -156.95 169.22 25.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.94 150.83 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.694 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -139.54 127.35 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.43 10.41 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.693 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.75 -43.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.167 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.77 -61.24 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.637 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.0 p -59.01 118.35 5.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -52.64 -70.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.342 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -142.69 7.99 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -174.81 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 139.04 54.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.266 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.74 128.94 21.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.6 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -47.48 153.57 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.75 131.53 38.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.386 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 161.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.4 26.3 59.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.235 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.9 m -126.91 139.9 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.456 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.02 117.84 5.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.761 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -110.56 45.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -176.37 -73.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tttp 58.43 49.92 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.05 0.452 . . . . 0.0 110.162 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.1 m -69.69 63.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.609 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 t 72.47 -55.82 0.66 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.33 -37.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.516 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -44.77 -68.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 28' ' ' SER . 2.3 p 52.43 111.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.734 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -128.47 125.41 38.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -77.09 152.11 35.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.53 175.45 6.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 p -127.18 18.64 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.802 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.72 37.25 14.08 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -120.38 -40.61 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 111.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 m -148.16 159.12 44.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -68.56 -23.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.577 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -71.04 92.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.3 t -52.45 132.93 44.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 73.2 Cg_exo -50.96 162.32 1.13 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.494 2.13 . . . . 0.0 112.471 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -98.13 26.95 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 29.4 p90 -137.29 146.29 53.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.804 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 149.43 45.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.464 2.109 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.47 135.26 51.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 60.64 93.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.494 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.34 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -101.88 132.57 47.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.41 -178.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.4 m -74.68 163.75 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 57.0 m -145.98 58.46 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.19 130.43 12.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.283 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 -143.51 6.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 7.6 Cg_exo -72.23 -44.74 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.818 2.345 . . . . 0.0 112.421 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -96.77 27.49 3.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.233 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.16 115.15 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.853 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -136.23 7.95 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.672 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.2 11.02 0.61 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.33 10.56 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.536 0.208 . . . . 0.0 111.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -151.31 51.97 0.84 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.264 0.554 . . . . 0.0 110.947 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 14' ' ' LYS . 2.2 mt 56.0 129.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.787 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.73 147.11 98.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.306 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.84 122.83 12.5 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.523 2.149 . . . . 0.0 112.185 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.89 163.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.349 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.61 19.75 58.46 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.262 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.46 136.59 54.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 110.607 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.85 129.5 41.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.924 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 28.89 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.26 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.396 179.729 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.23 30.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.794 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.27 169.2 15.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -13.54 62.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -101.48 -31.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.404 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -153.35 -174.24 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 111.54 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.412 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 81.0 p -171.77 121.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.2 m-70 -130.53 -165.72 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -138.74 155.79 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.23 156.42 16.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 p -111.5 16.0 20.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.73 27.5 4.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.837 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -113.44 -36.56 4.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 m -146.06 171.25 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 51.2 m -94.66 11.06 32.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -101.26 96.16 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.812 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 42.6 t -57.57 134.65 82.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.71 156.67 26.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.567 2.178 . . . . 0.0 112.378 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -96.56 22.11 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.216 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -140.82 143.1 30.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.32 149.24 44.87 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.506 2.137 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.85 -174.48 45.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.35 31.38 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.49 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.821 0.344 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttt 60.65 35.11 19.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -138.66 125.88 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.4 m 62.73 131.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.065 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.77 84.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p -85.34 125.76 33.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.14 179.54 41.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.91 4.48 6.08 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.725 2.283 . . . . 0.0 113.274 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -124.07 19.17 9.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.579 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.1 m -132.86 135.39 45.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -53.81 -79.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -140.6 6.63 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.769 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.3 t -179.67 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -113.87 158.31 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' CD2' ' CA ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -58.8 127.85 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.654 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.38 142.31 86.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.537 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.7 123.37 13.22 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.566 2.177 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.38 161.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.31 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.17 18.44 67.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.363 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -125.32 128.26 47.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 12.7 t -45.53 115.87 1.04 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.491 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 13.1 p -84.52 -40.16 17.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.453 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.52 -73.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.644 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.02 28.04 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 t -56.55 173.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -82.21 56.07 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.22 -37.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.0 m -128.28 -176.51 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.509 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -165.93 128.85 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 21' ' ' THR . 10.8 m-70 -137.66 152.97 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -106.62 131.18 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.103 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.65 148.54 46.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.625 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -104.13 16.77 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.02 51.16 8.66 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.808 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -147.02 -43.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 111.459 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.405 ' CA ' ' CD2' ' A' ' 15' ' ' LEU . 33.2 t -131.32 157.21 43.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.194 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -7.14 55.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.226 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -80.8 155.16 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.83 133.89 22.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.89 178.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.392 2.061 . . . . 0.0 112.184 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -109.87 31.04 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -165.33 147.67 6.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.23 150.92 54.1 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.533 2.155 . . . . 0.0 112.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.4 -177.03 1.57 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 m120 60.29 79.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.5 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 32.1 mtt -103.63 -32.19 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -129.34 104.51 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 37.0 m -101.94 -24.3 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m 64.25 64.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.27 131.99 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.28 177.21 48.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.23 -28.74 64.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.479 2.119 . . . . 0.0 112.243 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.73 -32.7 35.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.933 0.397 . . . . 0.0 110.5 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 140.8 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.69 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.08 -70.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.79 -23.07 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t 178.91 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -113.13 141.76 46.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.65 129.99 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.069 0.462 . . . . 0.0 111.25 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.1 162.16 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.24 128.27 23.42 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.484 2.123 . . . . 0.0 112.286 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 149.15 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.03 24.35 76.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.341 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -121.74 123.1 41.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.749 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.432 ' N ' ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.62 115.59 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.1 p -101.56 -42.71 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.024 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.62 -69.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tttt 57.6 30.14 18.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 5.3 m -59.43 135.41 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.782 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -51.14 -26.53 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.159 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -97.62 -22.05 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.395 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -159.09 107.92 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 111.282 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m -98.67 125.64 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -122.7 -170.55 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.432 ' CE2' ' N ' ' A' ' 21' ' ' THR . 9.8 m-85 -148.23 154.16 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.774 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -91.64 147.55 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.66 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -107.42 22.98 15.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.59 26.6 7.71 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.778 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -115.09 -62.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.978 0.418 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.58 170.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -100.48 15.91 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -120.67 104.42 9.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 m -50.89 141.11 19.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.11 177.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.466 2.111 . . . . 0.0 112.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -114.16 34.73 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -148.83 147.77 25.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.35 108.77 2.44 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.49 2.127 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.76 129.97 9.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -165.8 -43.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.53 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.9 mtm -98.42 35.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.0 149.09 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.2 m -95.93 148.34 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.53 124.92 21.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.649 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.35 153.11 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.993 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -156.67 26.82 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.423 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.29 -24.7 12.13 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.85 2.366 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.1 -24.04 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -97.03 121.41 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -152.07 22.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -153.23 18.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.1 t 76.05 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -163.38 107.16 1.03 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.195 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -37.93 123.67 1.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -44.96 166.4 0.13 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.323 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -69.91 148.12 63.37 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.821 2.347 . . . . 0.0 112.434 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 160.85 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.04 58.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.497 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -119.21 132.96 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.91 128.36 32.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.8 -39.68 4.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -94.55 -72.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 53.01 34.1 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.42 ' CG2' ' CB ' ' A' ' 28' ' ' SER . 14.5 t -55.86 164.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -21.01 66.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.422 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -121.46 27.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.648 0.261 . . . . 0.0 111.532 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.42 ' CB ' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER 178.89 -171.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -177.73 112.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -125.84 134.22 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CE2' HG21 ' A' ' 21' ' ' THR . 3.7 m-85 -81.76 170.72 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 157.88 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 p -116.59 20.34 14.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.59 37.07 13.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.749 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -117.18 -37.69 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -164.24 172.89 13.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -71.17 -32.36 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.06 106.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.4 m -79.09 147.69 70.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 177.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.548 2.165 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -114.4 28.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.98 148.18 14.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.9 138.78 32.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.271 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.72 168.52 43.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -136.16 79.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.536 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -74.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.03 -73.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.35 8.44 6.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 59.73 172.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.002 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.42 130.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.627 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.89 -148.53 17.68 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.836 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -86.83 -33.3 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.989 2.459 . . . . 0.0 113.6 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -94.95 31.83 1.79 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.167 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.09 120.54 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.395 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -46.58 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 10.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -132.71 133.88 44.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.35 137.46 4.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.86 147.52 23.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.629 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.04 126.62 22.09 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.661 2.241 . . . . 0.0 112.258 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.66 158.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.394 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.44 17.51 70.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -126.72 128.96 47.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.648 0.261 . . . . 0.0 110.565 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 13.3 t -50.93 134.93 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.477 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 28.0 p -105.91 -41.69 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.53 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.438 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -97.23 -53.2 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 111.289 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' N ' ' HA ' ' A' ' 29' ' ' SER . 15.8 ttpt 49.58 27.81 2.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.1 m -63.95 164.55 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.9 m -83.84 51.57 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' A' ' 26' ' ' SER . 8.1 p 172.23 -35.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -79.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.079 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.452 ' HA ' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER 59.89 116.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 9.4 m-70 -139.3 154.02 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.076 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.4 m-85 -102.42 125.2 49.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.57 144.34 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 p -101.57 18.27 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.25 37.7 8.27 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.828 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.81 -42.96 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -143.43 171.92 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.4 t -85.52 -0.11 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.473 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -86.79 141.27 28.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.5 m -107.27 136.54 19.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.42 178.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.156 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -107.68 28.93 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -162.94 144.1 7.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.725 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.39 149.56 39.96 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.495 2.13 . . . . 0.0 112.4 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.1 148.43 19.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -131.4 120.05 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.845 0.355 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.82 -67.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.52 169.5 16.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -30.47 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.46 122.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.93 166.11 16.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.024 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.12 -161.9 28.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.92 -24.18 46.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.441 2.094 . . . . 0.0 112.175 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 38.0 t -112.57 27.75 9.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.8 m -151.72 104.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -141.2 20.8 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -148.59 15.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.402 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 68.63 20.05 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.48 103.93 2.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.226 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -36.47 118.64 0.56 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.408 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -47.8 150.1 2.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.59 133.93 41.98 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.555 2.17 . . . . 0.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.62 165.01 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.09 18.35 47.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.41 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.1 m -124.66 130.17 51.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.772 0.32 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.6 t -56.73 127.18 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.3 p -105.28 -28.68 10.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.7 OUTLIER -95.94 -69.17 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp 59.36 27.95 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.018 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 6.8 m -59.8 133.73 56.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.709 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -50.14 -26.69 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -97.27 -22.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -158.75 108.64 2.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.613 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.7 p -97.92 133.92 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -131.19 170.88 13.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -120.61 133.2 55.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -85.7 164.81 17.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -119.63 19.57 12.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 47.1 18.52 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.851 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 mtt85 -132.68 -46.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 p -132.87 158.99 41.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -68.52 -29.91 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.43 147.64 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.98 141.95 25.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.86 179.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.522 2.148 . . . . 0.0 112.24 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.24 -26.84 13.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -92.06 147.43 34.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.78 154.79 58.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.589 2.193 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.07 94.09 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.31 35.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.525 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.2 mtp -136.81 35.42 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 164.47 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.6 p -141.75 154.66 45.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' HB ' ' CB ' ' A' ' 37' ' ' CYS . 1.5 m -110.42 76.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.468 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.46 96.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.481 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.47 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.59 -18.54 42.86 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.671 2.247 . . . . 0.0 112.993 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -115.36 22.47 13.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.047 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -129.32 -1.0 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -144.57 9.93 1.4 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.528 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 44.5 t 67.45 19.33 10.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.088 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 15' ' ' LEU . 10.4 ttmm -147.19 47.42 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.284 0.564 . . . . 0.0 110.835 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 14' ' ' LYS . 12.2 mt 53.51 136.56 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.105 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -74.34 139.8 75.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.67 121.97 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.478 2.118 . . . . 0.0 112.282 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.92 165.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.67 20.98 57.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.058 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.4 m -120.94 126.47 50.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.426 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.75 113.2 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.311 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 p -97.46 29.32 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.439 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -177.12 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.369 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' CA ' ' HA ' ' A' ' 29' ' ' SER . 16.4 ptpt 47.88 29.31 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.062 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 m -59.97 126.72 28.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.434 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -50.01 -25.49 3.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.764 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -107.98 20.63 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 111.348 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.433 ' HA ' ' CA ' ' A' ' 24' ' ' LYS . 23.1 t 66.22 114.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 6.2 m-70 -129.54 -169.26 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CE2' HG21 ' A' ' 21' ' ' THR . 17.1 m-85 -148.31 145.8 28.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.99 147.37 27.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.573 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 p -103.81 16.24 26.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.45 27.07 3.96 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.812 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.85 -35.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.3 p -140.12 172.69 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.682 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.9 m -100.4 16.68 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.839 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.67 99.9 8.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 25.3 t -53.15 123.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 19.8 Cg_endo -60.58 168.47 6.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.59 2.193 . . . . 0.0 112.529 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m -99.96 27.71 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.416 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 22.8 p90 -135.22 144.88 51.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.829 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.65 149.02 42.86 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.513 2.142 . . . . 0.0 112.329 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.66 -30.77 75.7 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.57 83.26 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.52 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 ttm -99.18 -36.04 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.37 103.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.9 m -74.24 129.02 37.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 3.0 m -69.26 70.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.546 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.72 128.28 15.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.363 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 159.91 23.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.15 -28.29 60.36 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.229 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 43.3 t -98.57 33.66 2.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.223 0.535 . . . . 0.0 110.538 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -130.88 142.88 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 20.9 ttt180 -97.23 42.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 1.7 mt-30 85.74 -25.89 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.411 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 35.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.261 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -159.3 115.05 2.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.817 0.342 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 36' ' ' SER . 2.3 tt -47.06 105.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -48.83 142.66 8.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.35 134.3 41.33 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.47 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 165.99 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.22 14.31 59.25 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.51 122.85 42.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.811 0.339 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.87 121.71 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 -179.736 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -114.48 43.16 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -175.02 -72.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 10.2 pttm 47.26 33.06 2.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 t -45.6 168.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.179 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 7.9 t -79.43 55.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.4 p 169.32 -32.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.2 -169.44 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -175.11 120.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.9 m-70 -128.38 165.1 21.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.275 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 21' ' ' THR . 9.2 m-85 -123.65 163.38 21.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.275 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.27 145.69 28.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -102.24 13.32 34.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.29 27.77 2.91 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.964 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -138.05 10.46 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.419 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 12.2 t 179.24 158.54 0.61 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.746 0.308 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.0 m -90.87 7.32 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -102.19 95.03 6.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.4 t -46.52 123.02 7.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.7 171.26 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.562 2.174 . . . . 0.0 112.509 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.436 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -102.49 24.38 10.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.13 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -135.83 144.81 50.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.0 149.21 41.42 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.519 2.146 . . . . 0.0 112.335 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.67 93.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -168.3 -43.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.789 0.328 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.1 ttt 60.63 160.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -122.43 153.71 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 m -104.54 140.72 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.16 101.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.65 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 p -103.32 136.96 42.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.79 -175.09 25.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -25.67 16.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.6 2.2 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.78 53.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -176.13 126.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.625 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -128.7 -14.56 4.57 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -176.3 34.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.657 0.265 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -157.93 117.29 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.771 0.32 . . . . 0.0 110.673 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.21 116.24 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -47.15 137.17 8.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.025 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.72 142.59 70.92 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.471 2.114 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 167.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.23 22.18 49.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -129.58 134.12 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.39 118.41 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -98.58 -33.02 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -105.42 -71.59 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 60.79 27.66 17.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.4 m -58.44 162.4 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -47.02 -44.76 20.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.427 . . . . 0.0 111.038 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.93 -22.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 88.57 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 111.582 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 t -103.79 105.57 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.957 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.1 m-70 -129.14 146.02 51.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.281 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 5.6 m-85 -92.9 169.94 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -98.58 151.34 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -108.72 14.12 24.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.17 3.96 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.763 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.07 -33.46 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.63 0.252 . . . . 0.0 111.541 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 p -161.2 172.18 17.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.206 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.2 m -78.88 -8.06 58.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.395 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.03 101.7 11.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.809 0.338 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.69 149.45 95.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.1 178.12 4.46 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.25 -29.39 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -94.43 148.32 34.78 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.45 176.53 9.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.584 2.189 . . . . 0.0 112.355 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.79 76.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -157.44 -55.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.507 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.815 0.34 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -106.09 140.84 38.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -60.57 175.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m 60.34 -178.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.93 112.57 13.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.07 129.74 56.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.14 -154.15 25.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.637 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.16 -46.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.835 2.356 . . . . 0.0 113.146 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.78 49.26 1.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.397 . . . . 0.0 111.286 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 30.5 p -177.92 138.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.012 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 164.55 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 67.63 -73.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.49 35.16 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.18 143.48 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' N ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.81 137.87 9.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -68.78 143.94 95.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 145.65 97.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.28 169.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.93 19.32 50.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -127.33 128.19 45.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.711 0.291 . . . . 0.0 110.279 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.78 123.03 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 0.0 111.099 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.03 -28.86 13.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.98 -70.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.501 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.76 35.63 21.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 ' CG2' ' CB ' ' A' ' 28' ' ' SER . 1.8 t -56.17 174.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -52.08 -40.54 61.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.265 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -108.88 -48.59 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' CB ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.1 -177.04 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.37 . . . . 0.0 111.176 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 p -177.06 108.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.3 m-70 -124.31 141.64 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.02 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -95.88 159.87 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.83 144.52 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.8 p -100.25 14.84 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.34 54.07 8.94 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.883 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -153.93 -50.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.0 173.87 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.983 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -91.56 8.13 38.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.314 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.11 117.54 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.808 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.53 130.22 54.37 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.41 -179.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.34 2.027 . . . . 0.0 111.929 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.01 36.98 2.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -168.42 147.25 3.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.802 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.87 152.17 51.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.527 2.152 . . . . 0.0 112.365 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.03 -172.98 1.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 59.68 74.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.48 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.794 0.331 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.8 ttm -144.62 144.78 31.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -132.24 145.74 51.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 m -105.41 150.21 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -114.5 74.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.86 110.4 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.497 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 -170.75 22.82 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.15 -35.44 11.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.7 2.266 . . . . 0.0 112.127 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -82.29 -30.79 30.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 103.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -70.1 -11.52 60.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.442 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 173.95 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.1 t -178.07 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.813 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.94 118.2 36.12 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.61 114.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.55 149.59 0.59 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.046 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.58 140.21 36.76 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.827 2.351 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.6 171.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.03 18.84 42.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.398 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -120.56 114.16 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.731 0.3 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.1 t -47.57 108.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.7 p -94.05 42.44 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.329 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' H ' ' HA ' ' A' ' 29' ' ' SER . 3.1 tptm 54.21 34.36 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.689 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.77 65.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.185 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.48 -55.96 0.47 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 28' ' ' SER . 9.5 p -133.59 -44.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.207 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.417 ' HB2' ' CE3' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -68.98 90.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.403 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 54.3 p -119.0 131.36 56.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.026 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.3 m-70 -135.98 111.98 9.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.947 0.403 . . . . 0.0 111.329 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.5 m-30 -59.77 121.02 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 158.97 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.9 p -104.9 16.22 26.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.82 27.19 4.61 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.851 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -119.7 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -135.06 153.43 52.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -75.62 -8.3 56.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.36 172.42 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.337 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 83.4 m -135.72 128.87 18.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.324 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.97 178.1 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.444 2.096 . . . . 0.0 112.015 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 p -104.01 19.23 20.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.7 144.07 25.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.574 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -75.48 165.18 31.11 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.519 2.146 . . . . 0.0 112.499 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.22 -176.15 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 60.09 82.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.527 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.813 0.34 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.8 mtp -131.68 79.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -105.5 -58.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.2 148.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.27 77.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -95.05 147.91 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 176.48 15.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.46 -7.23 19.35 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.782 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -123.06 54.1 1.26 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -179.3 120.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.408 . . . . 0.0 111.393 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.329 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -53.05 95.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.225 0.536 . . . . 0.0 111.289 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t 43.37 58.11 3.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.07 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 119.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 110.789 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tp -47.04 120.04 2.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.812 0.339 . . . . 0.0 110.251 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.14 135.03 49.9 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.21 127.34 21.8 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.454 2.103 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.89 152.11 2.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.46 78.97 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -130.27 118.53 21.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.3 t -45.78 94.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.533 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.7 p -65.19 -39.66 93.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.96 -69.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.729 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.14 28.97 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.291 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.6 m -53.18 152.09 4.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.947 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -45.87 -30.23 1.64 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.89 27.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.17 90.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.474 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.402 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 p -100.63 123.75 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -130.55 122.74 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 111.467 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -73.5 133.31 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.338 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.6 t -68.73 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.8 p -104.44 14.25 30.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 44.53 29.7 1.91 Allowed Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.803 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -119.64 -28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.495 0.188 . . . . 0.0 111.502 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.6 t -162.95 175.04 11.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.947 0.403 . . . . 0.0 111.377 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.99 -5.52 57.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.419 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.18 120.89 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.787 0.327 . . . . 0.0 110.959 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 m -84.93 142.22 38.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.07 172.35 14.08 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.546 2.164 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.17 27.42 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -153.1 141.82 14.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.55 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.399 2.066 . . . . 0.0 112.487 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.91 -116.38 1.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.19 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.514 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -107.86 106.22 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.58 44.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.6 m -86.77 178.39 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -164.63 69.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.503 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -42.21 108.38 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.632 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 -155.33 7.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.37 -19.83 12.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.665 2.243 . . . . 0.0 112.753 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 47.3 t -132.77 55.66 1.88 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.811 0.339 . . . . 0.0 111.365 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -122.91 97.18 5.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.834 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -60.4 85.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 69.74 -65.24 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.82 20.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.129 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -155.71 124.82 6.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.66 0.267 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.534 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.14 132.14 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.031 0.443 . . . . 0.0 111.27 -179.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -55.73 168.13 0.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.899 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.06 141.82 65.48 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.56 146.32 36.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.85 79.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.294 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.6 m -118.8 124.46 47.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.21 123.95 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.733 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.06 -27.26 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.41 -74.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 111.49 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 tptt 55.12 35.09 24.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.792 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 28' ' ' SER . 15.2 t -54.7 177.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -60.75 -22.99 64.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.248 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -154.26 47.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.899 0.38 . . . . 0.0 111.562 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.478 ' N ' HG21 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.2 87.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -95.69 122.55 38.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.808 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -116.56 169.73 9.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.92 153.47 44.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 159.47 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 p -114.94 22.23 13.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.25 26.02 8.85 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.781 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -112.89 -68.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -106.42 171.74 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 m -91.06 8.28 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.34 149.83 24.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.665 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.3 m -93.03 119.2 67.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.014 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.91 163.68 24.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.392 2.061 . . . . 0.0 111.87 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -80.83 57.57 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.524 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -123.02 104.36 35.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.58 -20.88 30.42 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.447 2.098 . . . . 0.0 112.188 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.04 -80.46 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 61.71 94.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.539 -179.996 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 75.4 mtm -104.98 176.83 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.25 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 m -88.71 140.39 29.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.4 125.85 25.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.543 179.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -134.4 134.76 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.89 -153.47 25.38 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.69 -38.96 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.608 2.205 . . . . 0.0 112.831 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 42.1 t -108.82 51.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -129.47 125.52 36.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.986 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.82 68.01 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 70.22 -65.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -146.06 27.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.079 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.23 121.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.57 117.95 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -48.41 145.11 5.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.41 147.59 87.32 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.585 2.19 . . . . 0.0 112.55 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.28 165.68 9.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.1 27.03 50.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.36 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.8 m -130.27 127.47 39.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.291 . . . . 0.0 110.453 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.0 109.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.986 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -88.45 -42.3 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.192 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.72 -60.51 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.428 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.55 30.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.323 -179.705 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.441 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 6.2 m -59.8 141.8 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -26.57 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -96.95 -24.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.265 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 126.64 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 111.32 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 72.5 m -113.34 118.23 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -122.91 150.02 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -98.44 157.22 16.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.398 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.42 171.62 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 111.222 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -125.06 19.33 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.61 40.97 41.36 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.768 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -122.56 -34.55 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 111.312 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 t -166.15 171.56 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.734 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -68.28 -31.95 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.783 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.99 115.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.357 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.89 144.58 33.19 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.61 177.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.465 2.11 . . . . 0.0 112.132 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -113.52 31.38 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -158.29 148.18 15.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.13 138.33 30.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.02 138.05 29.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.2 -49.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 tpt -160.88 110.9 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -134.58 141.7 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.7 m -97.53 166.32 11.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.69 111.72 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.624 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -94.29 147.18 23.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 178.05 17.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.27 -30.35 10.48 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.546 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -90.16 46.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.17 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 134.02 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -57.85 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -143.48 9.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.807 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -177.8 -33.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.539 0.209 . . . . 0.0 111.539 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -118.12 155.66 30.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -56.02 134.18 52.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 179.853 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -54.5 143.82 45.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.641 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.84 117.56 2.84 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.159 . . . . 0.0 112.518 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.5 110.87 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.316 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 23.24 5.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.231 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.6 m -130.28 135.98 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.675 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.36 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.51 25.39 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.113 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.45 ' CZ3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -154.95 -73.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 111.412 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.8 tttt 46.95 47.54 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.631 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -75.92 61.45 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.56 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 3.0 m 55.46 18.59 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.135 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 26' ' ' SER . 3.8 p 165.88 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.012 0.434 . . . . 0.0 110.612 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 23' ' ' TRP . 59.8 m -82.41 85.61 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.638 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.486 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 18.9 p -112.48 137.55 50.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -143.98 124.99 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.0 130.26 40.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -71.33 156.83 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 p -108.77 13.9 24.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.24 27.92 2.92 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.902 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -116.26 -31.76 5.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 111.222 -179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 p -153.18 166.37 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 m -79.84 -6.24 56.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.369 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -82.1 114.52 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.66 147.13 54.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.83 144.23 56.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.401 2.068 . . . . 0.0 112.199 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 p -78.93 -29.85 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -100.05 140.76 21.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.48 157.87 55.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.419 2.079 . . . . 0.0 112.405 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.38 -61.64 7.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -60.97 88.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.52 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.803 0.335 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 tpp -105.95 31.72 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -103.25 135.09 45.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.7 m -67.14 121.6 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.4 m -57.13 163.46 2.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 p -141.11 135.56 31.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.0 28.5 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.2 -14.49 44.06 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.687 2.258 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 48.5 t -117.35 47.18 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 142.02 47.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -90.23 44.48 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 71.36 4.71 5.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.586 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.24 -28.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.574 0.226 . . . . 0.0 111.376 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.71 135.72 53.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -54.54 112.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.646 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.84 146.11 4.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.985 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.09 144.25 92.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.657 2.238 . . . . 0.0 112.654 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.11 171.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.62 18.24 37.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.47 -179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -118.4 129.49 55.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.34 128.55 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 p -108.67 26.21 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.488 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -164.66 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 179.672 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 6.7 ttpt 49.53 28.07 2.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.474 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.82 169.11 12.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.005 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -69.86 -22.39 63.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -94.01 -31.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 1.1 m -151.77 177.79 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.134 0.492 . . . . 0.0 111.614 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 14.7 m -165.47 121.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.346 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.1 m-70 -131.59 -177.73 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 111.25 -179.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -123.87 167.16 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.31 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.58 169.49 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 111.142 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -122.3 15.31 10.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.29 26.38 4.83 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.886 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 -23.65 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.596 0.236 . . . . 0.0 111.472 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 2.1 m -160.4 152.18 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 110.818 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.3 m -82.67 -1.17 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.216 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.24 75.56 7.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.39 . . . . 0.0 110.748 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.0 t -47.51 118.19 5.63 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.18 159.43 2.76 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.478 2.118 . . . . 0.0 112.309 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 t -97.66 27.78 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -139.9 138.08 19.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.6 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.1 154.18 52.19 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.46 -34.54 81.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.15 -31.38 71.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.522 179.973 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mtp -60.48 148.68 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -170.87 35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.8 m 60.67 -177.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.407 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -135.45 145.9 47.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -132.81 122.68 24.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.61 -155.31 25.27 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.68 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.55 -46.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.784 2.323 . . . . 0.0 113.046 -179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -64.63 -49.45 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 111.271 -179.662 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 25.3 p -80.66 136.18 36.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.83 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -146.32 9.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -38.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -126.81 144.37 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.099 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.8 128.84 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.662 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -59.96 156.0 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.48 131.58 38.98 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.487 2.125 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.32 161.0 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.46 9.19 73.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.409 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.8 m -113.41 119.48 37.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 3.6 t -45.18 115.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.313 -179.623 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 8.1 p -92.53 33.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.269 -179.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.07 -71.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.957 0.408 . . . . 0.0 111.515 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.66 28.29 11.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -52.87 152.36 3.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.599 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 9.1 t -77.35 55.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 26' ' ' SER . 6.7 p 166.78 -30.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.18 -74.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.18 117.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.253 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 9.4 m-70 -130.09 -164.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -178.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 7.2 m-85 -150.37 136.78 18.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.923 0.392 . . . . 0.0 111.388 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -79.47 145.37 33.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 p -102.02 16.49 25.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.72 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.27 48.35 20.83 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.674 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.81 -43.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.417 -179.732 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 85.5 p -140.89 162.3 35.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.232 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 43.8 t -77.76 -9.43 59.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -81.74 101.97 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 0.0 111.169 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.34 122.23 82.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.68 163.72 3.69 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.478 2.118 . . . . 0.0 112.33 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -97.42 29.11 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -149.66 143.81 17.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.89 144.18 27.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.553 2.169 . . . . 0.0 112.388 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.46 -33.69 77.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -94.97 79.31 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.544 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.815 0.34 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.03 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.58 81.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.24 -25.41 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 61.33 64.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 p -57.55 112.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.83 175.81 35.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 35.6 Cg_exo -59.96 -43.02 39.62 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.554 2.169 . . . . 0.0 112.241 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -33.55 75.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.933 0.396 . . . . 0.0 110.515 179.62 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 128.04 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.915 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -10.57 55.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 168.52 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.459 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -170.55 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -108.37 131.23 54.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.92 117.86 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -47.05 147.1 2.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.22 131.95 44.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.491 2.127 . . . . 0.0 112.272 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.86 164.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.52 13.58 60.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.475 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -121.68 124.34 44.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 12.2 t -48.0 123.77 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -105.86 31.58 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER -174.0 -71.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 111.508 -179.711 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.613 -179.454 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 10.5 m -57.92 132.63 53.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.725 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -47.88 -27.8 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -96.5 -22.14 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.451 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.86 110.17 2.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.876 0.369 . . . . 0.0 111.795 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -98.25 133.26 42.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.178 179.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.9 m-70 -133.18 173.17 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.333 -179.204 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.87 137.82 50.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.241 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.8 t -76.37 144.38 40.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -101.46 17.47 22.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.74 34.62 5.44 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.934 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -118.4 -40.35 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 t -139.71 172.89 12.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -94.3 10.4 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.71 100.76 9.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 33.7 t -57.53 110.9 2.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.77 176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.521 2.148 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.18 27.59 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -153.54 146.7 17.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.87 -179.93 5.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.416 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.84 -63.01 3.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -77.05 87.31 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.53 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.826 0.346 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.0 tpp -60.64 158.41 12.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.39 168.13 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.46 -2.79 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.41 127.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.123 179.729 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 p -132.88 127.16 33.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.36 -151.38 11.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.798 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.35 -43.61 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.928 -179.534 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -72.01 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.559 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 24.4 p -66.5 122.38 17.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -54.09 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -144.03 9.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.937 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.76 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 140.29 51.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.17 136.89 8.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.792 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -52.52 141.18 34.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.747 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.53 129.63 27.19 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.516 2.144 . . . . 0.0 112.545 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.4 106.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.76 25.13 3.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -126.46 132.83 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.168 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -52.87 116.95 2.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.517 -179.469 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.8 p -97.36 22.84 8.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.42 -72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? 60.89 25.18 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.749 -179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.3 m -58.77 142.62 49.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -46.76 -27.86 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.19 -16.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.731 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -145.3 104.85 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.853 0.358 . . . . 0.0 111.892 -179.271 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -107.57 110.51 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.058 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -123.36 165.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.642 -178.562 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.6 m-85 -118.97 155.21 31.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 t -90.07 161.72 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 p -116.72 18.32 14.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.14 41.84 11.72 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.761 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -43.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.299 . . . . 0.0 111.3 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -146.11 170.5 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -81.07 -5.38 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.75 104.49 13.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 111.249 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -75.04 123.34 88.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.328 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.89 145.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.649 2.233 . . . . 0.0 112.795 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -96.47 25.57 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -138.11 145.29 47.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.49 139.73 35.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.539 2.159 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -38.6 85.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -98.24 35.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.494 179.998 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.828 0.347 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -39.73 93.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -172.57 128.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m -106.53 -33.08 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 65.54 62.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.634 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -57.85 124.23 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.26 164.63 35.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.8 -28.04 36.86 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.665 2.243 . . . . 0.0 112.5 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.38 -13.86 45.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 110.951 179.487 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -93.95 119.65 33.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.644 179.873 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -59.26 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -117.32 -24.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.936 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.13 34.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -159.22 141.03 13.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.0 114.54 2.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.96 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -58.78 140.59 85.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.635 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -60.78 127.06 21.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.368 2.045 . . . . 0.0 112.56 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.71 118.36 1.78 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.168 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 121.54 3.62 10.19 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.552 -179.603 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 m -113.76 127.11 55.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.766 0.317 . . . . 0.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.3 t -47.75 117.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 6.0 p -99.01 34.38 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -177.11 -71.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.405 . . . . 0.0 111.451 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp 61.3 26.94 16.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.72 -179.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.452 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 5.4 m -59.24 132.29 53.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -48.7 -27.79 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.46 -22.8 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.342 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -159.04 110.14 2.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 111.584 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -98.15 133.97 41.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.344 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.4 m-70 -134.03 170.66 15.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.141 -179.339 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.658 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -127.42 139.87 52.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.023 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.38 141.15 43.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 110.438 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 p -103.18 20.05 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.19 28.23 1.94 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.908 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -106.34 -31.81 8.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -155.28 171.36 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 10.3 m -93.31 9.75 34.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -109.87 91.6 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 16.6 t -46.25 132.96 7.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 38.3 Cg_endo -66.57 173.88 7.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.553 2.169 . . . . 0.0 112.385 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -100.14 30.36 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 14.7 p90 -138.35 148.15 58.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.43 147.19 51.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.184 . . . . 0.0 112.321 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.32 -149.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 60.58 35.44 20.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.471 179.994 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.9 mtp -132.74 109.25 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -100.94 32.81 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 m -156.19 -42.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.9 m 72.89 64.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -55.23 118.95 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.25 171.61 39.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.709 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.61 -25.86 61.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.873 2.382 . . . . 0.0 112.692 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' HA ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -91.03 -25.3 19.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.306 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 110.86 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.629 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -69.36 -11.38 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.477 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 169.96 -27.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.676 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -173.6 -29.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.338 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -111.39 130.52 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 0.0 110.575 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.45 124.85 3.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 111.174 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -49.4 146.78 6.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.3 126.7 18.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.189 . . . . 0.0 112.529 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.8 149.23 1.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.151 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.13 4.69 84.07 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.685 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.2 m -111.5 112.46 24.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -56.36 119.26 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -94.95 -36.37 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.456 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -84.69 -77.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.182 -178.642 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 tptt 59.47 22.96 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.544 -179.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.456 ' HB ' ' CD1' ' A' ' 23' ' ' TRP . 9.0 t -52.95 163.31 0.51 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -84.26 57.23 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.221 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p 177.54 -32.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.406 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 t -155.38 93.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.239 -179.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 25.6 p -80.87 158.44 25.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.653 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 38.1 m-70 -147.63 172.22 14.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.968 0.413 . . . . 0.0 111.631 -179.393 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -126.35 133.38 51.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.57 179.863 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 144.14 49.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.742 0.306 . . . . 0.0 110.426 179.826 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -101.19 20.54 15.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.08 27.57 3.65 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.849 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -130.65 -53.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.03 0.443 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -98.04 155.9 16.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.3 m -95.62 12.37 29.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -133.25 113.09 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.836 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -45.88 142.13 3.93 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.32 178.07 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.622 2.215 . . . . 0.0 112.445 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -96.19 25.83 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -153.09 144.6 16.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.684 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.79 151.47 46.0 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.349 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.0 170.32 5.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -174.96 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.524 179.987 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.813 0.34 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -132.81 -46.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.57 169.79 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.3 m -105.28 133.46 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.5 m -84.63 167.39 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.372 179.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.91 120.47 26.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.407 . . . . 0.0 111.051 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.94 167.48 37.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.404 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.6 -24.17 60.87 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.625 2.217 . . . . 0.0 112.512 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.85 -27.13 40.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.77 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 138.51 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -86.99 -33.68 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.56 4.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.931 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.19 -34.73 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.696 0.284 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -126.56 145.62 50.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.69 127.11 26.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -53.36 163.05 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.4 134.0 32.0 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.516 2.144 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.05 139.96 21.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.89 21.49 59.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.326 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.3 m -125.24 123.59 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.49 127.66 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.804 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.1 p -115.25 -42.97 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -83.46 -71.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.356 -179.491 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttm 55.39 30.11 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.727 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.415 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 85.5 m -50.19 162.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 22.9 t -80.13 53.45 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.842 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.1 p 168.99 -33.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -137.32 103.16 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -99.22 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.4 m170 -118.36 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.234 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -138.5 166.86 23.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.93 148.99 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.463 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -108.18 21.78 16.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.27 6.94 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.734 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -115.18 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 p -123.37 172.98 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.64 11.41 31.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.6 106.43 13.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -51.71 145.49 15.91 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 69.0 Cg_endo -74.16 178.61 6.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.568 2.178 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -97.71 28.28 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 13.0 p90 -137.13 145.13 48.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.74 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.14 -77.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.44 2.093 . . . . 0.0 112.443 -179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.58 44.04 0.12 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -98.73 31.12 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.489 -179.975 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.3 mtt -104.59 81.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.66 119.72 18.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.58 -30.14 10.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 65.52 111.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.397 -179.655 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -110.93 148.29 32.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 -167.38 34.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.95 -47.25 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.654 2.236 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.08 -70.0 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -55.11 127.08 27.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 7.9 ptt85 -58.33 -28.46 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 14.7 tt0 173.45 -30.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.072 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.67 23.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -166.92 116.93 0.88 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.722 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.27 117.56 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -43.67 152.69 0.43 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.47 128.9 23.62 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.07 25.85 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.313 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -136.22 136.61 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.75 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.18 126.03 25.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.763 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.1 p -108.84 -29.63 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.315 -179.663 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.5 -73.43 0.67 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.744 -179.294 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 57.37 30.53 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.656 -179.321 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.527 HG21 ' N ' ' A' ' 28' ' ' SER . 12.3 t -53.61 172.38 0.07 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -18.26 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.183 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -153.94 47.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.566 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.527 ' N ' HG21 ' A' ' 25' ' ' THR . 0.5 OUTLIER 170.79 91.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -98.5 115.59 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -119.52 147.85 43.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -100.8 153.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.22 147.27 26.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 p -106.99 19.11 20.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.3 48.39 15.78 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.698 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -43.01 1.0 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.676 0.274 . . . . 0.0 111.509 -179.655 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -159.76 174.49 14.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.1 -21.27 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.59 101.64 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -77.14 147.61 76.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -50.93 165.8 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.579 2.186 . . . . 0.0 112.394 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.87 31.36 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -149.11 149.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 94.62 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 88.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -176.73 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.504 179.99 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -66.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.44 -178.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -65.97 163.29 17.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -151.58 76.67 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.02 118.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.493 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -169.09 27.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.76 -19.49 41.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.546 2.164 . . . . 0.0 112.609 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.8 t -100.83 -34.85 9.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -59.43 143.13 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.68 179.912 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -107.34 -85.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -100.52 -32.22 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.59 35.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.928 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -168.87 125.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.509 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.52 128.5 5.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.129 0.49 . . . . 0.0 111.372 -179.664 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -51.02 162.82 0.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 140.68 93.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.59 159.34 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.83 26.44 65.22 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.116 -179.674 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -125.1 130.81 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.98 114.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.872 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.0 p -107.15 34.95 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.273 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.424 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 1.6 t90 -167.05 -70.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.713 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.28 31.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.454 . . . . 0.0 110.899 -179.354 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.424 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -50.52 172.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.062 -179.873 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -82.56 53.72 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.711 179.803 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p 175.52 -35.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.669 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -142.36 133.58 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.227 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 54.7 p -117.8 113.47 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.481 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.7 m170 -113.4 166.42 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.601 -179.094 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.63 155.43 28.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.76 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -123.19 16.39 9.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.49 25.36 13.19 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.782 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -117.67 -43.03 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 155.38 49.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 99.0 m -82.94 -0.18 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -90.8 90.49 7.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 t -47.63 116.09 4.23 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 42' ' ' TYR . 80.9 Cg_exo -47.96 171.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.53 2.154 . . . . 0.0 112.551 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -97.83 26.44 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 40' ' ' PRO . 11.0 p90 -127.64 145.49 55.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.65 -76.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.513 2.142 . . . . 0.0 112.403 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.53 -100.3 1.77 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.73 -170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 43.4 mtp -137.21 144.12 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.82 114.16 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.7 m -105.06 -26.03 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.643 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 112.97 1.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.151 -179.763 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.56 165.94 37.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.8 Cg_endo -54.45 -25.34 39.65 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.562 2.175 . . . . 0.0 112.422 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -95.74 18.02 13.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 178.94 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.88 118.93 27.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.665 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.28 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 7.6 tt0 -115.59 -28.31 6.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.947 0.403 . . . . 0.0 110.286 179.292 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 43.2 t 175.4 38.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.829 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -155.2 118.73 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -45.58 113.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.171 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -50.82 143.14 15.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.27 123.92 12.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.513 2.142 . . . . 0.0 112.521 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 32' ' ' CYS . . . -44.66 150.62 0.33 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.86 17.54 80.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.6 m -127.62 121.08 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.515 179.897 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 8.0 t -51.12 126.52 16.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.056 0.455 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.31 -39.59 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.997 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.2 t90 -86.38 -74.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.777 -179.075 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 56.28 23.94 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.505 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 23' ' ' TRP . 10.2 t -54.67 167.16 0.38 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.3 m -84.2 56.73 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.212 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p 178.1 -34.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.343 179.759 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.418 ' O ' HG21 ' A' ' 25' ' ' THR . 4.5 t -153.0 99.95 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 -179.607 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.413 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 18.4 m -86.01 154.76 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.671 179.577 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' C ' ' A' ' 29' ' ' SER . 23.9 m-70 -143.87 -172.2 3.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.832 0.348 . . . . 0.0 111.223 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 4.9 m-85 -141.36 126.48 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -68.98 140.64 55.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.595 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 p -99.85 19.27 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.741 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.06 27.33 2.48 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.89 -179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -114.81 -28.43 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -146.69 171.39 15.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.629 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 2.2 m -102.25 17.74 22.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -126.27 103.81 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 8' ' ' PRO . 33.6 m -53.65 143.64 37.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.348 -179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.85 178.17 7.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.624 2.216 . . . . 0.0 112.168 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -98.04 35.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.54 144.07 15.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.45 148.78 43.45 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.531 2.154 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.74 114.41 4.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -163.98 -44.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.48 179.985 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -133.13 85.57 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.52 -179.21 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -40.06 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m 58.93 68.54 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -94.93 158.89 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.49 -177.93 34.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.4 -24.13 37.18 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.773 2.315 . . . . 0.0 112.724 -179.81 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 50.9 t -107.5 53.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.428 . . . . 0.0 111.157 -179.832 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.38 115.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.006 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 46.18 87.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.504 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.4 m 34.85 53.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.26 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -153.1 114.0 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.764 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.09 106.11 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.472 179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -56.71 145.33 62.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.303 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.43 131.91 22.72 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.511 2.141 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.56 163.45 0.12 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.74 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.69 9.22 65.06 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.5 m -116.3 118.25 32.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.686 0.279 . . . . 0.0 110.507 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 9.5 t -43.66 96.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.985 0.421 . . . . 0.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' HIS . 8.3 p -60.63 -38.87 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.325 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -105.46 -72.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.449 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttt 71.84 24.63 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.1 m -62.17 148.23 45.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 179.808 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -47.16 -28.59 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.593 -179.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -119.13 -27.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.747 -179.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 92.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.839 -179.194 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.44 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -100.69 123.32 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.746 178.805 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 29' ' ' SER . 5.3 m-70 -137.07 146.52 45.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.991 -178.856 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-30 -98.88 137.2 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 143.22 56.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -94.07 10.47 33.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 44.8 56.1 5.94 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.921 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -169.04 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -133.66 162.51 31.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 111.347 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 28.4 m -82.79 -19.33 37.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.35 138.0 57.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.1 m -107.12 129.76 23.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.003 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.84 178.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.384 2.056 . . . . 0.0 112.103 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -109.19 30.9 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -160.69 146.96 11.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.84 152.0 36.48 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.564 2.176 . . . . 0.0 112.397 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.4 178.14 35.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 43.97 34.55 0.95 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.782 0.325 . . . . 0.0 111.421 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.517 -179.986 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 mtt 60.35 110.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.77 153.44 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -78.82 149.52 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.5 m -112.64 62.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -41.95 118.14 1.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.62 -179.51 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.23 -166.88 20.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.32 -9.45 21.73 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.629 2.219 . . . . 0.0 112.839 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 51.3 t -118.84 -23.31 7.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.64 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.27 137.85 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -121.26 93.51 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 77.86 -57.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -174.9 32.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -161.68 118.3 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.622 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.94 120.13 2.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.758 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -46.24 168.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.18 145.82 79.67 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.614 2.21 . . . . 0.0 112.423 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.14 154.93 18.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 179.533 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.93 18.9 69.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.401 -179.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.2 m -117.56 124.31 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.417 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -50.06 123.94 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 111.005 -179.762 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 23.6 p -111.11 -35.53 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.31 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 -73.26 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.437 -179.571 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.4 tttp 61.45 37.77 16.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -63.02 173.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.877 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.44 39.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -141.66 -75.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 -179.886 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 43.8 m 53.72 97.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.186 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 6.0 m-70 -131.73 132.61 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.134 -179.306 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 21' ' ' THR . 4.4 m-85 -85.77 160.84 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 162.98 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.673 179.778 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 p -117.78 20.51 13.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 26.74 5.87 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.785 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.76 -36.28 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.5 m -139.39 171.39 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 179.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -91.63 8.11 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 159.0 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.731 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.41 135.33 19.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.99 177.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.199 179.827 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -101.74 24.69 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -149.2 147.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.72 -168.19 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.07 -149.01 19.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -94.48 -45.69 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.508 179.975 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mmt -63.62 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -132.22 156.17 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.8 m 62.1 147.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.23 109.58 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.848 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.89 152.69 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.92 -162.14 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.24 -25.03 7.47 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.738 2.292 . . . . 0.0 113.031 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 53.7 t -114.82 69.4 0.72 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.76 0.314 . . . . 0.0 111.376 -179.782 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.06 7.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -137.31 6.17 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.58 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.1 t 177.66 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.044 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -112.52 141.29 46.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -50.81 127.55 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -47.28 160.45 0.36 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -74.66 152.07 42.1 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.794 2.329 . . . . 0.0 113.037 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HA ' ' N ' ' A' ' 34' ' ' GLY . . . -58.25 166.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.002 179.45 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.53 18.08 35.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -126.34 114.51 18.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.3 t -49.63 115.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.88 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.421 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 7.5 p -90.16 -30.5 17.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -179.756 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -75.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.321 -179.622 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 4.7 tptt 59.4 27.82 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 t -55.79 168.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.483 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.36 57.51 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.358 -179.532 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.5 p 177.14 -35.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.433 179.697 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -79.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.366 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 1.2 m 79.2 119.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.311 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -135.3 172.64 12.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.679 -178.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -122.93 126.36 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.276 179.51 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.6 153.87 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 111.186 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 p -109.97 21.28 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.509 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' HA ' ' A' ' 18' ' ' ALA . . . 47.34 27.9 4.27 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.825 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -103.02 -32.73 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.6 t -163.3 170.91 16.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.96 -21.36 61.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.23 130.88 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.3 m -95.95 142.87 25.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.96 177.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.177 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -111.47 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -148.52 146.3 22.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.11 129.57 15.32 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.466 2.111 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.9 41.3 2.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -67.68 -32.19 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.52 179.987 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.893 0.378 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.2 ttm -106.22 34.63 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -138.99 107.72 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.29 -21.78 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.41 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 64.1 130.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.767 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -130.94 128.36 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -153.33 20.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.763 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.07 -50.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.791 2.327 . . . . 0.0 113.219 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -49.71 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -179.47 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -81.98 127.09 32.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -54.96 -81.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.46 8.72 1.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.694 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.58 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -121.37 129.46 53.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.13 117.7 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.703 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -48.47 138.43 11.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.59 140.01 75.74 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.616 2.21 . . . . 0.0 112.381 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.96 149.05 0.94 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.05 9.23 85.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.374 -179.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -109.88 116.06 30.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 4.2 t -43.12 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.427 -179.635 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 p -64.09 -17.25 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.454 -179.721 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -76.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.815 -179.671 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 tttt 66.96 22.75 10.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.417 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 28' ' ' SER . 12.2 t -54.67 174.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.1 p -83.85 12.35 6.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.907 -179.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -160.86 28.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.627 0.251 . . . . 0.0 111.381 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.411 ' N ' HG21 ' A' ' 25' ' ' THR . 0.4 OUTLIER 168.15 92.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.073 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -95.64 132.81 40.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.719 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' THR . 7.6 m-70 -126.64 -160.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 11.0 m-85 -154.95 130.24 9.67 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.99 148.99 41.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 p -104.08 18.68 21.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 48.58 17.58 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.82 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.67 -44.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.89 174.49 10.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.821 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 52.8 t -80.4 -3.22 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.7 121.49 25.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -91.68 115.77 65.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -43.34 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.628 2.218 . . . . 0.0 112.682 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.3 p -104.33 27.27 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -146.5 147.33 30.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.38 154.24 50.76 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.63 -53.98 41.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -85.92 91.11 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.882 0.372 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.18 35.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -150.64 85.45 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.2 m -103.56 151.81 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 99.1 m -119.96 81.82 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.64 109.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.324 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 166.64 36.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.25 -21.3 43.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -90.31 -33.07 16.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 110.71 179.836 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -59.66 117.47 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.796 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -64.12 -16.66 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 169.14 -29.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.908 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.78 148.27 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.643 179.792 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.12 125.11 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -52.79 159.76 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 131.21 26.43 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.537 2.158 . . . . 0.0 112.367 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.03 116.55 1.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 16.12 7.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -120.58 136.5 54.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.71 124.7 20.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -179.634 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 p -109.04 25.16 12.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.753 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -73.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.542 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 5.5 ttpm? 63.23 32.49 14.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.63 -179.697 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 28' ' ' SER . 14.1 m -67.56 165.06 17.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.817 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -66.79 -26.58 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.702 -179.454 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 p -131.09 34.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.28 -179.734 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.487 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -148.95 -75.49 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.845 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 53.7 m 51.69 98.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.798 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.0 m-70 -130.2 173.58 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.476 -178.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 26.7 m-85 -129.66 159.34 36.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.047 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 153.38 21.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -111.64 23.26 14.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 28.83 7.51 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.05 -64.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 111.041 -179.902 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 p -128.95 171.9 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.6 m -87.08 3.4 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -92.93 92.47 7.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.65 126.49 13.24 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.746 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 12.4 Cg_endo -56.12 159.8 11.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 112.499 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -97.51 25.38 5.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 38.4 p90 -139.67 147.42 51.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.84 155.75 57.66 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.54 2.16 . . . . 0.0 112.298 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.81 28.33 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -118.25 31.24 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.479 -179.99 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.3 mtt -105.36 -58.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -105.51 142.86 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.0 m -81.74 125.5 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -58.75 94.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.67 179.644 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.1 126.24 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 -179.691 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 179.94 39.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.75 -14.69 13.89 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.701 2.268 . . . . 0.0 113.314 -179.467 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -100.67 21.47 13.38 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.8 m -132.39 135.11 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 179.707 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -54.83 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 5.4 tt0 -145.65 6.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 45.3 t 177.17 -30.62 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -112.41 154.08 26.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.352 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 120.89 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.624 179.696 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -55.3 146.13 43.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.36 131.84 35.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.515 2.143 . . . . 0.0 112.408 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.38 154.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.61 20.6 77.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.343 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -127.69 131.54 49.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 ' CG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.66 140.59 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -140.99 26.92 2.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.508 -179.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.2 t90 -157.95 -65.72 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 6.0 ptpp? 45.81 47.77 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.14 0.495 . . . . 0.0 110.486 -179.252 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.6 m -67.21 64.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.463 -179.365 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m 72.29 -57.01 0.64 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.23 0.538 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.01 -40.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.706 179.828 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.0 87.5 2.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.72 179.792 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.42 110.5 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.698 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -110.78 125.16 53.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.309 -179.179 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 21' ' ' THR . 3.2 m-85 -80.66 151.5 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.25 153.09 32.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 p -105.2 12.88 31.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.617 179.41 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 55.22 7.11 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.77 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -160.08 -41.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.695 -179.744 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.21 153.59 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 111.458 -179.596 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.71 -12.62 61.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.078 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -87.6 108.34 19.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.977 -179.884 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.19 148.2 95.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.751 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 54.0 Cg_exo -52.0 177.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.53 2.153 . . . . 0.0 112.237 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -117.57 36.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 44.4 p90 -152.93 148.29 20.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.11 -168.06 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.588 2.192 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.76 -78.89 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -92.86 104.57 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.474 179.99 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 mtm -108.0 -32.78 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -156.01 32.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m 63.39 -77.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m 74.5 72.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.91 126.92 27.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.87 -152.51 8.48 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.43 -45.9 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.572 2.182 . . . . 0.0 112.246 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -72.03 -35.65 69.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.048 0.452 . . . . 0.0 110.529 179.631 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -69.19 168.47 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -167.59 -66.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 26.5 mt-30 -98.05 19.44 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.827 179.563 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 82.92 31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.405 -179.296 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -154.05 112.62 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.26 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.517 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.45 118.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.164 0.507 . . . . 0.0 111.994 -179.396 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -46.2 151.11 0.98 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.93 143.15 99.7 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.69 22.95 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -124.21 123.51 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.422 HG21 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -55.19 113.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.736 179.908 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 29.0 p -95.07 -40.72 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.36 -179.449 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -99.19 -58.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.305 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.2 30.2 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.199 -179.618 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.441 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 6.4 m -62.91 141.01 58.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -54.3 -30.71 51.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -89.92 -28.44 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -156.13 107.74 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.539 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -98.89 122.42 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -122.14 -170.42 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.422 ' CE1' HG21 ' A' ' 21' ' ' THR . 9.6 m-85 -142.46 157.13 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.72 179.864 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.8 148.21 24.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.764 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.6 p -103.95 15.98 27.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 33.92 6.75 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.937 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 -46.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.369 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 172.59 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.799 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 94.0 m -103.97 17.98 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -112.94 98.88 7.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.755 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.8 137.54 83.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 177.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.404 2.069 . . . . 0.0 112.178 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -111.72 37.69 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -162.6 149.52 10.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.39 158.48 56.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.565 2.177 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.01 157.31 6.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -74.66 -32.03 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.84 0.353 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.9 ttm -172.85 145.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.49 85.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -100.54 -50.72 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m 68.72 140.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.496 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.4 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.054 -179.744 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.84 166.78 15.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.624 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.61 -8.97 24.75 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.756 2.304 . . . . 0.0 112.915 -179.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.01 42.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.807 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -176.89 131.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 106.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.05 179.352 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 70.37 -68.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 109.849 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 31.5 p -163.85 31.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.474 179.151 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.56 116.3 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -44.44 100.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.797 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 140.16 69.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.64 135.69 58.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.519 2.146 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.2 164.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.48 17.04 56.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.401 -179.638 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -120.69 136.14 54.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.442 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.92 128.02 34.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.345 -179.569 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 p -109.98 24.19 13.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.961 179.662 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -165.1 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.565 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 55.44 33.38 20.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.728 -179.616 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.474 HG21 ' N ' ' A' ' 28' ' ' SER . 15.3 t -52.77 177.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -61.5 -22.76 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.272 -179.147 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -154.24 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.811 0.339 . . . . 0.0 111.575 -179.5 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.474 ' N ' HG21 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.11 86.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.056 179.837 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -94.41 130.26 40.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.793 179.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 9.9 m-70 -122.8 -176.72 3.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CD1' ' HA2' ' A' ' 44' ' ' GLY . 2.3 m-85 -131.97 155.72 47.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.09 -179.725 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.08 150.68 23.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -109.26 16.51 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.743 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.4 37.34 8.3 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.86 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -118.13 -39.25 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 -179.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.26 170.45 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.76 -10.24 59.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.377 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.64 119.43 21.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -86.3 113.7 53.64 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 179.746 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 91.0 Cg_exo -44.02 163.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.662 2.242 . . . . 0.0 112.672 -179.742 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.411 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 1.6 m -101.0 29.42 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 40' ' ' PRO . 16.2 p90 -133.87 146.79 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.75 148.33 41.23 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.584 2.189 . . . . 0.0 112.376 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' HA2' ' CD1' ' A' ' 31' ' ' TYR . . . -59.86 107.9 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -91.37 -55.63 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.451 179.953 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.1 mtp -134.93 142.68 46.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.56 173.15 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.6 p -141.07 140.71 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' THR . 94.9 m -99.86 61.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.45 179.769 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -28.66 117.31 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.089 -179.639 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.61 -147.67 5.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.507 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.42 -20.59 5.79 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.772 2.315 . . . . 0.0 113.209 -179.552 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -106.3 41.24 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.817 0.341 . . . . 0.0 111.467 -179.49 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 p 176.66 177.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.777 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 179.94 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.41 6.16 24.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 48.6 t 68.08 44.64 1.43 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -167.55 51.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 111.197 179.609 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 39.54 105.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.329 179.248 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.21 146.08 3.27 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.997 179.422 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.01 139.09 77.11 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.565 2.177 . . . . 0.0 112.513 -179.798 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 169.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.76 19.79 44.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.411 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.5 m -118.5 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.22 127.69 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.764 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -110.94 28.09 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.603 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.47 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.99 0.424 . . . . 0.0 111.137 179.74 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttt 51.49 26.84 3.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 -179.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 172.72 1.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.014 -179.784 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -20.1 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.84 -27.62 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.365 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.603 ' HB3' ' CE3' ' A' ' 23' ' ' TRP . 11.1 t -148.61 -170.14 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.098 0.475 . . . . 0.0 111.738 -179.088 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p 179.55 122.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.305 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -131.71 -167.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.083 -179.23 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.99 162.09 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.18 156.19 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 p -112.26 16.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.95 48.97 18.49 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.839 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -138.31 -45.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.232 -179.809 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -142.3 165.45 27.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 54.1 m -83.82 -1.13 53.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.471 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.86 83.16 6.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.3 t -57.93 136.24 83.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.03 147.35 5.15 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.567 2.178 . . . . 0.0 112.62 -179.764 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.73 18.07 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -144.08 144.3 25.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.9 153.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.467 2.111 . . . . 0.0 112.393 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.0 128.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -60.95 -37.22 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.514 -179.988 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.852 0.358 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mtt -153.61 154.79 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.8 33.64 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 m -89.37 165.68 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.04 98.17 7.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.623 179.916 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -86.13 146.94 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 179.82 19.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.03 -23.58 15.9 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.654 2.236 . . . . 0.0 112.574 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -100.89 47.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.005 0.431 . . . . 0.0 111.041 -179.891 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 130.8 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -58.3 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 1.7 tm0? -142.74 7.0 1.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.725 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 50.6 t 177.09 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.241 . . . . 0.0 111.379 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -115.04 157.02 24.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 110.975 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.06 128.67 38.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.657 179.811 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -52.7 145.74 20.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.636 179.883 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.14 122.07 10.97 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.128 . . . . 0.0 112.3 -179.861 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.75 1.88 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.36 25.86 64.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.182 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -131.2 136.83 48.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.298 . . . . 0.0 110.645 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.44 ' CG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.05 124.95 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.805 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.5 p -104.32 -41.0 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 -179.824 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -72.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 111.242 -179.801 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 62.66 30.93 16.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.857 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -64.29 172.61 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER -86.75 46.83 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.6 p 173.42 -35.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -76.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.129 -179.7 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 71.0 m 59.48 97.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.976 -179.805 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.1 m-70 -131.31 169.89 15.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.292 -179.182 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CE2' ' CG2' ' A' ' 21' ' ' THR . 5.7 m-85 -118.26 159.33 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.663 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 149.84 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 p -109.36 17.72 21.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.61 179.489 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 49.78 16.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.765 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -138.3 -45.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.428 -179.799 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.28 162.56 34.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.733 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.42 -7.42 57.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.376 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.25 102.16 12.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -62.11 144.89 93.99 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -51.77 171.22 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.4 m -111.13 23.76 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -149.7 146.2 20.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.761 179.891 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.32 108.28 2.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.5 2.133 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.59 -28.52 65.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.25 -31.17 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 176.95 33.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.04 -28.54 19.04 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.421 2.08 . . . . 0.0 112.168 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 179.246 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -97.22 114.68 26.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.583 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -54.67 -23.89 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 167.75 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.795 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -177.57 34.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.716 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -156.53 116.73 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.859 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.6 tt -46.46 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -51.92 149.14 9.44 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.61 131.57 30.01 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.562 2.175 . . . . 0.0 112.403 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -51.53 154.51 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.78 24.54 72.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.352 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.7 m -124.4 125.96 45.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.973 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.19 112.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.791 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.1 p -99.41 -41.95 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -91.06 -70.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 58.21 28.91 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -59.31 135.18 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 p -52.69 -34.81 53.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -87.02 -19.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -163.78 115.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.954 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -102.49 132.59 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.7 m-70 -132.18 -168.52 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.9 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.973 ' CE2' HG23 ' A' ' 21' ' ' THR . 7.1 m-85 -149.59 155.52 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.784 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.66 146.2 23.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.482 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.454 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 19.7 p -107.06 21.62 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.736 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.614 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 47.87 27.29 4.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.859 ' C ' HD11 ' A' ' 15' ' ' LEU . 31.6 mtt85 -114.99 -27.9 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.707 0.289 . . . . 0.0 111.254 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.574 ' N ' HD11 ' A' ' 15' ' ' LEU . 29.0 t -147.27 173.76 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -102.23 17.63 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -127.12 104.84 8.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.2 m -51.42 145.83 13.62 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 173.88 10.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.581 2.187 . . . . 0.0 112.287 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 p -97.81 25.79 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -143.84 148.3 41.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 C--N 1.344 0.313 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.44 -158.8 27.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.399 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.29 -23.98 17.19 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 0.0 112.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -97.16 -33.83 11.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 6' ' ' THR . 3.8 m -99.86 159.13 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -174.66 -42.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 18.2 mt-30 -94.2 14.84 18.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 26.0 t 76.9 27.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.5 105.38 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.33 117.77 0.74 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.0 mtmt -42.46 146.17 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.413 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 40.9 Cg_exo -56.43 136.18 74.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.561 2.174 . . . . 0.0 112.494 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.44 114.02 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.68 18.73 5.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -128.21 135.64 49.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.412 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.65 130.62 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 31.4 p -110.22 -27.97 8.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -71.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 111.343 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp 55.37 32.82 19.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 28' ' ' SER . 14.5 t -55.22 177.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 t -62.11 -21.75 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.195 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.586 ' H ' HG23 ' A' ' 25' ' ' THR . 22.7 t -154.16 47.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.881 0.372 . . . . 0.0 111.619 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.908 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 174.44 86.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.062 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -94.3 133.2 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -134.78 155.96 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -107.0 155.76 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 153.13 17.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.419 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 11.8 p -112.58 19.38 17.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' HD12 ' A' ' 15' ' ' LEU . . . 46.49 49.02 16.35 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.735 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 -46.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.312 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -153.31 173.75 15.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 37.7 m -72.71 -19.61 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.255 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.81 118.03 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.14 141.68 31.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.76 171.42 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.442 2.095 . . . . 0.0 112.259 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -105.31 26.32 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -160.16 141.9 9.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.514 2.142 . . . . 0.0 112.385 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.856 0.36 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.09 169.64 30.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.51 -27.37 68.54 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.684 2.256 . . . . 0.0 112.243 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.5 t -86.92 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 143.2 37.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -78.55 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -130.46 -0.58 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.685 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -179.54 -36.67 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.691 0.281 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -126.44 150.32 48.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.79 0.328 . . . . 0.0 110.742 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.773 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.42 142.61 4.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -60.48 163.76 8.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.69 130.18 32.26 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.492 2.128 . . . . 0.0 112.272 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.79 153.64 0.39 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.73 17.19 78.05 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.224 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.1 m -121.01 119.6 32.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.51 134.16 55.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 p -107.8 -36.67 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.277 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -93.98 -69.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 111.333 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 52.06 26.91 4.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.919 HG22 ' O ' ' A' ' 28' ' ' SER . 11.6 t -59.65 177.51 0.21 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -64.41 -20.11 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.391 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 27' ' ' VAL . 18.2 t -153.38 45.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.919 ' O ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER 172.16 87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.286 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 83.9 p -105.97 135.57 47.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -136.06 157.27 47.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -110.66 160.94 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.0 m -92.7 148.38 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -109.27 20.58 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.511 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.97 31.92 5.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 -125.27 -42.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.8 t -141.46 163.06 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.6 m -92.05 8.32 38.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.87 101.28 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.822 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.1 m -57.68 135.05 82.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 178.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.448 2.098 . . . . 0.0 112.286 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 p -109.42 29.69 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -162.2 144.19 8.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.707 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.5 2.134 . . . . 0.0 112.366 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.868 0.366 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.78 -164.47 11.07 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.653 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.99 -5.12 16.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.783 2.322 . . . . 0.0 113.137 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -108.49 -36.36 6.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.751 0.31 . . . . 0.0 111.1 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.0 m -99.96 114.45 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 111.178 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -115.47 -12.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 14.4 mt-30 -136.89 13.23 3.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER 80.13 36.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.881 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 15' ' ' LEU . 15.9 tttm -158.66 84.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.775 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -18.09 125.6 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.253 -179.519 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -47.42 144.34 4.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.52 125.68 12.86 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.59 2.193 . . . . 0.0 112.613 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.31 123.8 10.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.038 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.3 24.11 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.234 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -129.59 142.68 50.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.715 0.293 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.875 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.45 139.28 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.999 0.428 . . . . 0.0 111.153 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.07 -40.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.302 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -112.44 42.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.714 -179.223 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -67.58 66.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.743 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 28' ' ' SER . 10.1 t -77.48 174.07 11.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -64.2 -21.35 66.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.503 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.8 p -131.97 34.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 111.498 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.53 ' HB3' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER 177.63 173.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 59.0 p -178.85 117.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.736 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -120.82 158.25 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.875 ' CE2' HG23 ' A' ' 21' ' ' THR . 2.9 m-85 -104.72 129.24 52.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 153.04 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.736 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 p -105.02 18.82 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.04 39.33 11.66 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -136.16 -57.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -115.67 171.71 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.705 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 4.4 m -103.74 17.65 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.27 104.54 13.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.83 133.73 95.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 178.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.435 2.09 . . . . 0.0 112.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.73 30.86 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.65 144.53 14.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.763 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.344 0.313 0 C-N-CA 122.505 2.137 . . . . 0.0 112.346 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.58 -157.96 9.15 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.683 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.8 Cg_endo -68.95 -53.3 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.675 2.25 . . . . 0.0 112.792 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -61.22 -30.44 70.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.955 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.86 136.49 34.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -94.56 -71.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.417 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 10.2 mt-30 -119.54 -25.82 5.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.947 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 53.3 t 161.16 47.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.05 0.54 . . . . 0.0 109.619 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -166.69 127.82 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -47.67 116.84 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.891 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -50.32 143.82 12.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.631 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.51 124.07 14.86 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.359 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.56 160.12 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.7 23.52 65.32 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.163 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -124.53 126.45 45.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.487 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.566 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -52.14 113.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.293 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.72 24.43 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.445 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -166.65 -73.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.719 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 60.49 28.59 18.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.613 HG22 HG12 ' A' ' 27' ' ' VAL . 98.6 m -53.83 155.93 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 18.8 t -77.68 55.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 25' ' ' THR . 8.0 p 170.15 -33.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -139.16 103.31 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.936 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -98.68 129.76 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.474 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.1 m-70 -126.42 -172.79 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.303 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CE2' HG23 ' A' ' 21' ' ' THR . 11.3 m-85 -149.62 141.75 24.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.96 146.46 35.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 p -100.21 16.92 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.57 27.06 4.14 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.655 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -141.65 18.8 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.748 0.308 . . . . 0.0 111.094 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.922 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -177.47 156.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.664 ' SG ' HD23 ' A' ' 15' ' ' LEU . 1.5 m -101.93 17.09 24.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.818 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -114.84 93.72 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 17.0 t -50.7 106.92 0.7 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 84.4 Cg_exo -46.3 166.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.618 2.212 . . . . 0.0 112.64 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.3 m -98.38 29.96 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 20.7 p90 -137.01 146.96 56.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.338 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.08 -176.82 23.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.462 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.35 -35.64 6.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.572 2.182 . . . . 0.0 112.845 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 45.1 t -97.83 41.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 1.5 m -145.57 146.11 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -89.51 49.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 73.18 6.26 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.727 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t -173.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.716 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -123.7 139.43 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 111.18 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.833 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.36 126.6 13.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.999 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mtpt -57.35 166.4 1.64 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 36.7 Cg_exo -60.38 116.81 3.58 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.553 2.169 . . . . 0.0 112.336 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' N ' ' A' ' 34' ' ' GLY . . . -53.66 121.09 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 131.05 -4.57 5.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.777 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -116.54 151.38 36.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 110.491 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.68 127.49 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.003 0.43 . . . . 0.0 111.111 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -110.91 28.74 8.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.01 -74.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.629 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' H ' ' HA ' ' A' ' 29' ' ' SER . 45.9 tttm 47.89 33.37 3.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.465 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 66.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.515 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 77.33 -56.32 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.011 0.434 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 8.9 p -133.71 -44.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.84 85.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.534 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.525 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 16.0 p -114.77 127.3 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.1 m-70 -136.39 129.15 30.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.3 m-85 -69.98 159.13 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.94 142.42 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 15.47 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' N ' ' HB2' ' A' ' 18' ' ' ALA . . . 42.91 36.21 2.5 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.938 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.51 -49.94 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 111.271 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.98 166.47 24.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.21 -25.97 52.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.47 102.06 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.5 m -60.72 147.62 83.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.657 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.76 169.52 7.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.389 2.059 . . . . 0.0 111.949 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.89 19.43 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.323 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -143.81 140.85 17.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.344 0.329 0 C-N-CA 122.503 2.135 . . . . 0.0 112.333 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.43 10.41 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.693 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.75 -43.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.167 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.77 -61.24 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.637 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.0 p -59.01 118.35 5.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -52.64 -70.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.342 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -142.69 7.99 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -174.81 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 139.04 54.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.266 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.79 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.74 128.94 21.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.6 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -47.48 153.57 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.75 131.53 38.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.386 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 161.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.4 26.3 59.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.235 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.9 m -126.91 139.9 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.456 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.59 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.02 117.84 5.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.761 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -110.56 45.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -176.37 -73.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' H ' ' HA ' ' A' ' 29' ' ' SER . 8.4 tttp 58.43 49.92 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.05 0.452 . . . . 0.0 110.162 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 25' ' ' THR . 77.1 m -69.69 63.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.609 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 t 72.47 -55.82 0.66 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.33 -37.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.516 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -44.77 -68.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.417 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 2.3 p 52.43 111.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.734 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -128.47 125.41 38.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.3 m-85 -77.09 152.11 35.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.53 175.45 6.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 p -127.18 18.64 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.802 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.72 37.25 14.08 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -120.38 -40.61 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 111.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 15' ' ' LEU . 8.1 m -148.16 159.12 44.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -68.56 -23.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.577 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -71.04 92.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.3 t -52.45 132.93 44.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 73.2 Cg_exo -50.96 162.32 1.13 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.494 2.13 . . . . 0.0 112.471 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -98.13 26.95 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 29.4 p90 -137.29 146.29 53.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.804 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo . . . . . 0 C--N 1.345 0.357 0 C-N-CA 122.464 2.109 . . . . 0.0 112.345 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.948 0.404 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 -143.51 6.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 7.6 Cg_exo -72.23 -44.74 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.818 2.345 . . . . 0.0 112.421 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -96.77 27.49 3.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.233 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.16 115.15 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.853 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -136.23 7.95 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.672 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.2 11.02 0.61 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.33 10.56 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.536 0.208 . . . . 0.0 111.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -151.31 51.97 0.84 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.264 0.554 . . . . 0.0 110.947 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 35' ' ' ARG . 2.2 mt 56.0 129.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.787 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.73 147.11 98.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.306 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.84 122.83 12.5 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.523 2.149 . . . . 0.0 112.185 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.89 163.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.349 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.61 19.75 58.46 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.262 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.46 136.59 54.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 110.607 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -60.85 129.5 41.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.924 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 28.89 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.26 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.396 179.729 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.23 30.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.794 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.27 169.2 15.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -13.54 62.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -101.48 -31.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.404 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -153.35 -174.24 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 111.54 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 81.0 p -171.77 121.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 21' ' ' THR . 1.2 m-70 -130.53 -165.72 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 21' ' ' THR . 12.9 m-85 -138.74 155.79 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.23 156.42 16.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 p -111.5 16.0 20.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.73 27.5 4.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.837 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.654 ' C ' HD13 ' A' ' 15' ' ' LEU . 8.3 ttt180 -113.44 -36.56 4.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.64 ' HA ' HD22 ' A' ' 15' ' ' LEU . 25.6 m -146.06 171.25 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.653 ' SG ' HD23 ' A' ' 15' ' ' LEU . 51.2 m -94.66 11.06 32.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -101.26 96.16 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.812 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 42.6 t -57.57 134.65 82.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.71 156.67 26.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.567 2.178 . . . . 0.0 112.378 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -96.56 22.11 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.216 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -140.82 143.1 30.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.506 2.137 . . . . 0.0 112.351 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.14 179.54 41.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.91 4.48 6.08 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.725 2.283 . . . . 0.0 113.274 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -124.07 19.17 9.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.579 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.1 m -132.86 135.39 45.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -53.81 -79.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 57.0 mt-30 -140.6 6.63 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.769 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 48.3 t -179.67 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' NZ ' HD12 ' A' ' 15' ' ' LEU . 6.1 tmtm? -113.87 158.31 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.646 HD22 ' C ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -58.8 127.85 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.654 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.38 142.31 86.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.537 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.7 123.37 13.22 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.566 2.177 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.38 161.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.31 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.17 18.44 67.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.363 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -125.32 128.26 47.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.725 HG21 ' HD3' ' A' ' 24' ' ' LYS . 12.7 t -45.53 115.87 1.04 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 13.1 p -84.52 -40.16 17.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.453 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.52 -73.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.644 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.725 ' HD3' HG21 ' A' ' 21' ' ' THR . 0.4 OUTLIER 56.02 28.04 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.608 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.786 HG23 ' H ' ' A' ' 28' ' ' SER . 3.1 t -56.55 173.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -82.21 56.07 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.22 -37.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.786 ' H ' HG23 ' A' ' 25' ' ' THR . 72.0 m -128.28 -176.51 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -165.93 128.85 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 40' ' ' PRO . 7.6 m80 -137.66 152.97 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -106.62 131.18 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.103 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.65 148.54 46.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.625 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -104.13 16.77 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.02 51.16 8.66 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.808 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.646 ' C ' HD22 ' A' ' 15' ' ' LEU . 5.6 ttt-85 -147.02 -43.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 111.459 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.584 ' N ' HD22 ' A' ' 15' ' ' LEU . 33.2 t -131.32 157.21 43.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.194 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -77.58 -7.14 55.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.226 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -80.8 155.16 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.83 133.89 22.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.542 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 52.7 Cg_exo -54.89 178.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.392 2.061 . . . . 0.0 112.184 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -109.87 31.04 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -165.33 147.67 6.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.302 0 C-N-CA 122.533 2.155 . . . . 0.0 112.339 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.28 177.21 48.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.23 -28.74 64.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.479 2.119 . . . . 0.0 112.243 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -80.73 -32.7 35.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.933 0.397 . . . . 0.0 110.5 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 140.8 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.69 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.08 -70.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.79 -23.07 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t 178.91 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -113.13 141.76 46.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.823 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.65 129.99 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.069 0.462 . . . . 0.0 111.25 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.1 162.16 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.24 128.27 23.42 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.484 2.123 . . . . 0.0 112.286 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 149.15 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.03 24.35 76.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.341 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -121.74 123.1 41.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.749 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.836 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.62 115.59 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.1 p -101.56 -42.71 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.024 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.62 -69.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tttt 57.6 30.14 18.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.61 HG22 HG12 ' A' ' 27' ' ' VAL . 5.3 m -59.43 135.41 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.782 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -51.14 -26.53 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.159 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 HG22 ' A' ' 25' ' ' THR . 12.0 p -97.62 -22.05 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.395 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 2.9 t -159.09 107.92 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 111.282 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m -98.67 125.64 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -122.7 -170.55 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.836 ' CE1' HG23 ' A' ' 21' ' ' THR . 9.8 m-85 -148.23 154.16 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.774 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -91.64 147.55 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.66 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -107.42 22.98 15.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.59 26.6 7.71 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.778 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -115.09 -62.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.978 0.418 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.58 170.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 2.5 m -100.48 15.91 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -120.67 104.42 9.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 m -50.89 141.11 19.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.11 177.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.466 2.111 . . . . 0.0 112.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -114.16 34.73 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -148.83 147.77 25.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.49 2.127 . . . . 0.0 112.316 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.836 0.351 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -156.67 26.82 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.423 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.29 -24.7 12.13 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.85 2.366 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.1 -24.04 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -97.03 121.41 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -152.07 22.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 4.0 mt-30 -153.23 18.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.1 t 76.05 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -163.38 107.16 1.03 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.195 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -37.93 123.67 1.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -44.96 166.4 0.13 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.323 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -69.91 148.12 63.37 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.821 2.347 . . . . 0.0 112.434 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 160.85 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.04 58.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.497 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -119.21 132.96 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.62 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.91 128.36 32.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.8 -39.68 4.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -94.55 -72.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 53.01 34.1 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 28' ' ' SER . 14.5 t -55.86 164.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -21.01 66.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.422 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 27' ' ' VAL . 13.6 t -121.46 27.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.648 0.261 . . . . 0.0 111.532 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.567 ' N ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER 178.89 -171.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -177.73 112.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -125.84 134.22 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.62 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.7 m-85 -81.76 170.72 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 157.88 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 p -116.59 20.34 14.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 15' ' ' LEU . . . 47.59 37.07 13.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.749 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.654 ' C ' HD13 ' A' ' 15' ' ' LEU . 30.3 mtt180 -117.18 -37.69 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.569 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 m -164.24 172.89 13.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -71.17 -32.36 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.06 106.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.4 m -79.09 147.69 70.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 177.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.548 2.165 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -114.4 28.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.98 148.18 14.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.271 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.694 0.283 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.89 -148.53 17.68 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.836 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -86.83 -33.3 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.989 2.459 . . . . 0.0 113.6 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -94.95 31.83 1.79 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.167 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.09 120.54 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.395 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -46.58 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 10.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -132.71 133.88 44.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.783 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.35 137.46 4.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.86 147.52 23.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.629 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.04 126.62 22.09 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.661 2.241 . . . . 0.0 112.258 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -44.66 158.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.394 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.44 17.51 70.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -126.72 128.96 47.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.648 0.261 . . . . 0.0 110.565 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.713 HG21 ' HD3' ' A' ' 24' ' ' LYS . 13.3 t -50.93 134.93 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.503 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 28.0 p -105.91 -41.69 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.53 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -97.23 -53.2 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 111.289 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.713 ' HD3' HG21 ' A' ' 21' ' ' THR . 15.8 ttpt 49.58 27.81 2.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 26' ' ' SER . 33.1 m -63.95 164.55 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.9 m -83.84 51.57 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 26' ' ' SER . 8.1 p 172.23 -35.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -79.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.079 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.463 ' HA ' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER 59.89 116.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 9.4 m-70 -139.3 154.02 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.076 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.4 m-85 -102.42 125.2 49.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.57 144.34 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.405 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 6.6 p -101.57 18.27 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.25 37.7 8.27 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.828 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.81 -42.96 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -143.43 171.92 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 46.4 t -85.52 -0.11 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.473 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -86.79 141.27 28.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.5 m -107.27 136.54 19.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.42 178.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.156 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -107.68 28.93 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -162.94 144.1 7.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.725 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.345 0.352 0 C-N-CA 122.495 2.13 . . . . 0.0 112.4 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.12 -161.9 28.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.92 -24.18 46.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.441 2.094 . . . . 0.0 112.175 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 38.0 t -112.57 27.75 9.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 6' ' ' THR . 79.8 m -151.72 104.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -141.2 20.8 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -148.59 15.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.402 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 68.63 20.05 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.48 103.93 2.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.226 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.807 HD21 ' C ' ' A' ' 36' ' ' SER . 1.2 mt -36.47 118.64 0.56 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.408 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -47.8 150.1 2.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.59 133.93 41.98 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.555 2.17 . . . . 0.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.62 165.01 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.09 18.35 47.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.41 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.1 m -124.66 130.17 51.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.772 0.32 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.604 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.6 t -56.73 127.18 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.3 p -105.28 -28.68 10.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.7 OUTLIER -95.94 -69.17 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp 59.36 27.95 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.018 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.66 HG22 HG12 ' A' ' 27' ' ' VAL . 6.8 m -59.8 133.73 56.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.709 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -50.14 -26.69 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 25' ' ' THR . 11.8 p -97.27 -22.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.4 m -158.75 108.64 2.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.613 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.7 p -97.92 133.92 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -131.19 170.88 13.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.604 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -120.61 133.2 55.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -85.7 164.81 17.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -119.63 19.57 12.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 47.1 18.52 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.851 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 mtt85 -132.68 -46.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.807 ' C ' HD21 ' A' ' 15' ' ' LEU . 13.4 p -132.87 158.99 41.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -68.52 -29.91 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.43 147.64 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.98 141.95 25.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.86 179.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.522 2.148 . . . . 0.0 112.24 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.24 -26.84 13.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -92.06 147.43 34.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 C--N 1.345 0.364 0 C-N-CA 122.589 2.193 . . . . 0.0 112.359 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.47 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.59 -18.54 42.86 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.671 2.247 . . . . 0.0 112.993 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -115.36 22.47 13.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.047 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -129.32 -1.0 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -144.57 9.93 1.4 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t 67.45 19.33 10.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 15' ' ' LEU . 10.4 ttmm -147.19 47.42 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.284 0.564 . . . . 0.0 110.835 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.787 HD23 ' SG ' ' A' ' 37' ' ' CYS . 12.2 mt 53.51 136.56 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.105 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -74.34 139.8 75.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.67 121.97 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.478 2.118 . . . . 0.0 112.282 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.92 165.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.67 20.98 57.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.058 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.4 m -120.94 126.47 50.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.517 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.75 113.2 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.311 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 p -97.46 29.32 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.438 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -177.12 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.369 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.446 ' CA ' ' HA ' ' A' ' 29' ' ' SER . 16.4 ptpt 47.88 29.31 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.062 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.668 HG22 ' H ' ' A' ' 27' ' ' VAL . 18.7 m -59.97 126.72 28.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.434 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -50.01 -25.49 3.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.764 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.668 ' H ' HG22 ' A' ' 25' ' ' THR . 14.5 p -107.98 20.63 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 111.348 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.446 ' HA ' ' CA ' ' A' ' 24' ' ' LYS . 23.1 t 66.22 114.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' O ' HG22 ' A' ' 21' ' ' THR . 6.2 m-70 -129.54 -169.26 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.517 ' CE2' HG23 ' A' ' 21' ' ' THR . 17.1 m-85 -148.31 145.8 28.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.99 147.37 27.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.573 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 p -103.81 16.24 26.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.45 27.07 3.96 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.812 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.622 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -115.85 -35.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.593 ' C ' HD22 ' A' ' 15' ' ' LEU . 24.3 p -140.12 172.69 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.682 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' HD23 ' A' ' 15' ' ' LEU . 3.9 m -100.4 16.68 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.839 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.67 99.9 8.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 25.3 t -53.15 123.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 19.8 Cg_endo -60.58 168.47 6.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.59 2.193 . . . . 0.0 112.529 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m -99.96 27.71 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 22.8 p90 -135.22 144.88 51.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.829 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.513 2.142 . . . . 0.0 112.329 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 159.91 23.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.15 -28.29 60.36 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.229 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 43.3 t -98.57 33.66 2.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.223 0.535 . . . . 0.0 110.538 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -130.88 142.88 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 20.9 ttt180 -97.23 42.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 1.7 mt-30 85.74 -25.89 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.411 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 35.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.261 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -159.3 115.05 2.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.817 0.342 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.868 HD11 ' N ' ' A' ' 36' ' ' SER . 2.3 tt -47.06 105.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -48.83 142.66 8.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.35 134.3 41.33 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.47 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 165.99 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.22 14.31 59.25 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.51 122.85 42.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.811 0.339 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.904 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.87 121.71 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 -179.736 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -114.48 43.16 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -175.02 -72.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 10.2 pttm 47.26 33.06 2.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.877 HG23 ' H ' ' A' ' 28' ' ' SER . 1.5 t -45.6 168.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.179 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 7.9 t -79.43 55.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.4 p 169.32 -32.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.877 ' H ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -124.2 -169.44 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.929 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -175.11 120.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.9 m-70 -128.38 165.1 21.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.275 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.904 ' CE2' HG23 ' A' ' 21' ' ' THR . 9.2 m-85 -123.65 163.38 21.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.275 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.27 145.69 28.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -102.24 13.32 34.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.29 27.77 2.91 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.964 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.59 ' C ' HD11 ' A' ' 15' ' ' LEU . 5.5 ttt180 -138.05 10.46 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.868 ' N ' HD11 ' A' ' 15' ' ' LEU . 12.2 t 179.24 158.54 0.61 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.746 0.308 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.0 m -90.87 7.32 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -102.19 95.03 6.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 9' ' ' CYS . 5.4 t -46.52 123.02 7.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.7 171.26 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.562 2.174 . . . . 0.0 112.509 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.448 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -102.49 24.38 10.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.13 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -135.83 144.81 50.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 C--N 1.344 0.3 0 C-N-CA 122.519 2.146 . . . . 0.0 112.335 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.888 0.375 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.79 -175.09 25.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -25.67 16.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.6 2.2 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -102.78 53.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -176.13 126.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.625 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -128.7 -14.56 4.57 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -176.3 34.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.657 0.265 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -157.93 117.29 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.771 0.32 . . . . 0.0 110.673 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -46.21 116.24 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -47.15 137.17 8.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.025 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.72 142.59 70.92 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.471 2.114 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 167.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.23 22.18 49.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -129.58 134.12 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.555 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.39 118.41 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -98.58 -33.02 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -105.42 -71.59 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 60.79 27.66 17.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 26' ' ' SER . 86.4 m -58.44 162.4 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 25' ' ' THR . 89.0 p -47.02 -44.76 20.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.427 . . . . 0.0 111.038 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.93 -22.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 88.57 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 111.582 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 t -103.79 105.57 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.957 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.1 m-70 -129.14 146.02 51.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.281 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.6 m-85 -92.9 169.94 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -98.58 151.34 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -108.72 14.12 24.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.17 3.96 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.763 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.07 -33.46 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.63 0.252 . . . . 0.0 111.541 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.785 ' N ' HD21 ' A' ' 15' ' ' LEU . 11.2 p -161.2 172.18 17.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 41.2 m -78.88 -8.06 58.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.395 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.03 101.7 11.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.809 0.338 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.69 149.45 95.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.1 178.12 4.46 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.25 -29.39 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -94.43 148.32 34.78 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 122.584 2.189 . . . . 0.0 112.355 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.14 -154.15 25.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.637 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.16 -46.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.835 2.356 . . . . 0.0 113.146 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.78 49.26 1.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.397 . . . . 0.0 111.286 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 30.5 p -177.92 138.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.012 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 164.55 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 67.63 -73.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.49 35.16 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.18 143.48 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.81 137.87 9.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' HD22 ' A' ' 15' ' ' LEU . 2.0 mtmm -68.78 143.94 95.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 145.65 97.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.28 169.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.93 19.32 50.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -127.33 128.19 45.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.711 0.291 . . . . 0.0 110.279 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.522 HG21 ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.78 123.03 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 0.0 111.099 -179.794 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.03 -28.86 13.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.98 -70.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.501 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER 53.76 35.63 21.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.647 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.706 HG23 ' H ' ' A' ' 28' ' ' SER . 1.8 t -56.17 174.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -52.08 -40.54 61.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.265 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 28' ' ' SER . 12.1 p -108.88 -48.59 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.706 ' H ' HG23 ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.1 -177.04 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.37 . . . . 0.0 111.176 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 p -177.06 108.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.3 m-70 -124.31 141.64 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.02 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -95.88 159.87 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.83 144.52 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.8 p -100.25 14.84 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.34 54.07 8.94 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -153.93 -50.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.0 173.87 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.983 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -91.56 8.13 38.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.314 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.11 117.54 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.808 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.53 130.22 54.37 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.41 -179.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.34 2.027 . . . . 0.0 111.929 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.01 36.98 2.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -168.42 147.25 3.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.802 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.527 2.152 . . . . 0.0 112.365 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.938 0.399 . . . . 0.0 111.497 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 -170.75 22.82 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.15 -35.44 11.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.7 2.266 . . . . 0.0 112.127 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 22' ' ' CYS . 35.2 t -82.29 -30.79 30.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 103.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.431 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 12.5 ttm180 -70.1 -11.52 60.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.442 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 173.95 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.1 t -178.07 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.813 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.94 118.2 36.12 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.812 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.61 114.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' HB2' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -43.55 149.59 0.59 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.046 -179.355 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.58 140.21 36.76 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.827 2.351 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -54.6 171.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.03 18.84 42.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.398 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -120.56 114.16 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.731 0.3 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.1 t -47.57 108.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 9' ' ' CYS . 31.7 p -94.05 42.44 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.329 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' H ' ' HA ' ' A' ' 29' ' ' SER . 3.1 tptm 54.21 34.36 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.689 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.77 65.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.185 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.48 -55.96 0.47 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 28' ' ' SER . 9.5 p -133.59 -44.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.207 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -68.98 90.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 54.3 p -119.0 131.36 56.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.026 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.3 m-70 -135.98 111.98 9.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.947 0.403 . . . . 0.0 111.329 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.5 m-30 -59.77 121.02 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 158.97 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.477 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 15.9 p -104.9 16.22 26.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.82 27.19 4.61 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.851 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -119.7 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -135.06 153.43 52.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -75.62 -8.3 56.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.36 172.42 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.337 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.4 m -135.72 128.87 18.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.324 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 39' ' ' CYS . 37.2 Cg_exo -56.97 178.1 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.444 2.096 . . . . 0.0 112.015 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 p -104.01 19.23 20.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.7 144.07 25.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.574 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.519 2.146 . . . . 0.0 112.499 -179.755 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.872 0.367 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 176.48 15.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.46 -7.23 19.35 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.782 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -123.06 54.1 1.26 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -179.3 120.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.408 . . . . 0.0 111.393 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.329 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -53.05 95.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.225 0.536 . . . . 0.0 111.289 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t 43.37 58.11 3.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.07 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 119.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 110.789 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.721 HD21 ' C ' ' A' ' 35' ' ' ARG . 1.3 tp -47.04 120.04 2.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.812 0.339 . . . . 0.0 110.251 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.14 135.03 49.9 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.21 127.34 21.8 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.454 2.103 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.89 152.11 2.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.46 78.97 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -130.27 118.53 21.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.3 t -45.78 94.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.7 p -65.19 -39.66 93.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.96 -69.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.729 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.14 28.97 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.291 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.6 m -53.18 152.09 4.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.947 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -45.87 -30.23 1.64 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.3 p -139.89 27.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.17 90.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.474 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.402 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 p -100.63 123.75 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -130.55 122.74 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 111.467 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -73.5 133.31 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.338 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.6 t -68.73 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.8 p -104.44 14.25 30.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 44.53 29.7 1.91 Allowed Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.803 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.721 ' C ' HD21 ' A' ' 15' ' ' LEU . 31.6 mtp180 -119.64 -28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.495 0.188 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.453 ' HA ' HD11 ' A' ' 15' ' ' LEU . 42.6 t -162.95 175.04 11.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.947 0.403 . . . . 0.0 111.377 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.99 -5.52 57.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.419 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.18 120.89 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.787 0.327 . . . . 0.0 110.959 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 m -84.93 142.22 38.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.07 172.35 14.08 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.546 2.164 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.17 27.42 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -153.1 141.82 14.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 38.1 Cg_endo . . . . . 0 C--N 1.345 0.369 0 C-N-CA 122.399 2.066 . . . . 0.0 112.487 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 -155.33 7.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.37 -19.83 12.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.665 2.243 . . . . 0.0 112.753 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 47.3 t -132.77 55.66 1.88 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.811 0.339 . . . . 0.0 111.365 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -122.91 97.18 5.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.834 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -60.4 85.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 69.74 -65.24 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.82 20.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.129 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -155.71 124.82 6.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.66 0.267 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.792 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.14 132.14 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.031 0.443 . . . . 0.0 111.27 -179.677 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -55.73 168.13 0.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.899 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.06 141.82 65.48 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.56 146.32 36.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.85 79.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.294 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.6 m -118.8 124.46 47.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.21 123.95 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.733 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.06 -27.26 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.41 -74.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 111.49 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 14.5 tptt 55.12 35.09 24.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.792 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 28' ' ' SER . 15.2 t -54.7 177.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -60.75 -22.99 64.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.248 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.592 ' H ' HG23 ' A' ' 25' ' ' THR . 23.1 t -154.26 47.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.899 0.38 . . . . 0.0 111.562 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.895 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.2 87.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 1.4 m -95.69 122.55 38.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -116.56 169.73 9.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.92 153.47 44.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 159.47 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.406 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.0 p -114.94 22.23 13.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.25 26.02 8.85 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.781 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -112.89 -68.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -106.42 171.74 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 9' ' ' CYS . 24.7 m -91.06 8.28 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.34 149.83 24.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.665 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.3 m -93.03 119.2 67.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.014 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.91 163.68 24.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.392 2.061 . . . . 0.0 111.87 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -80.83 57.57 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.524 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -123.02 104.36 35.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.447 2.098 . . . . 0.0 112.188 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.89 -153.47 25.38 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.69 -38.96 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.608 2.205 . . . . 0.0 112.831 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.582 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 42.1 t -108.82 51.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -129.47 125.52 36.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.986 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.82 68.01 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 70.22 -65.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -146.06 27.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.079 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.23 121.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -47.57 117.95 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.877 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -48.41 145.11 5.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.41 147.59 87.32 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.585 2.19 . . . . 0.0 112.55 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.28 165.68 9.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.1 27.03 50.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.36 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.8 m -130.27 127.47 39.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.291 . . . . 0.0 110.453 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.435 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -53.0 109.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.986 -179.812 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -88.45 -42.3 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.192 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.72 -60.51 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.428 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.55 30.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.323 -179.705 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 HG12 ' A' ' 27' ' ' VAL . 6.2 m -59.8 141.8 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -26.57 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 25' ' ' THR . 12.7 p -96.95 -24.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 126.64 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 111.32 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 72.5 m -113.34 118.23 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -122.91 150.02 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.3 m-85 -98.44 157.22 16.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.398 179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.42 171.62 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 111.222 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -125.06 19.33 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.61 40.97 41.36 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.768 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -122.56 -34.55 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 111.312 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.843 ' HA ' HD11 ' A' ' 15' ' ' LEU . 47.0 t -166.15 171.56 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.734 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -68.28 -31.95 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.783 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.99 115.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.357 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.89 144.58 33.19 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.61 177.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.465 2.11 . . . . 0.0 112.132 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -113.52 31.38 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -158.29 148.18 15.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.835 0.35 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 178.05 17.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.27 -30.35 10.48 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.546 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -90.16 46.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.17 -179.83 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 134.02 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -57.85 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -143.48 9.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.807 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -177.8 -33.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.539 0.209 . . . . 0.0 111.539 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -118.12 155.66 30.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.661 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -56.02 134.18 52.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 179.853 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -54.5 143.82 45.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.641 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.84 117.56 2.84 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.159 . . . . 0.0 112.518 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.5 110.87 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.316 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 23.24 5.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.231 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.6 m -130.28 135.98 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.675 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.36 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.51 25.39 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.113 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.469 ' CZ3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -154.95 -73.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 111.412 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.567 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.8 tttt 46.95 47.54 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.631 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -75.92 61.45 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.56 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 3.0 m 55.46 18.59 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.135 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 28' ' ' SER . 3.8 p 165.88 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.012 0.434 . . . . 0.0 110.612 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.474 ' N ' HG13 ' A' ' 27' ' ' VAL . 59.8 m -82.41 85.61 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.638 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.567 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 18.9 p -112.48 137.55 50.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -143.98 124.99 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' CE1' HG23 ' A' ' 21' ' ' THR . 3.3 m-85 -72.0 130.26 40.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -71.33 156.83 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 p -108.77 13.9 24.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.24 27.92 2.92 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.902 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -116.26 -31.76 5.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 111.222 -179.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 p -153.18 166.37 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 2.5 m -79.84 -6.24 56.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.369 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -82.1 114.52 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.66 147.13 54.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.83 144.23 56.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.401 2.068 . . . . 0.0 112.199 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 p -78.93 -29.85 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -100.05 140.76 21.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.315 0 C-N-CA 122.419 2.079 . . . . 0.0 112.405 -179.891 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.0 28.5 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 32.8 Cg_endo -64.2 -14.49 44.06 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.687 2.258 . . . . 0.0 112.521 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 48.5 t -117.35 47.18 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 142.02 47.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -90.23 44.48 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 71.36 4.71 5.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.586 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.24 -28.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.574 0.226 . . . . 0.0 111.376 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.71 135.72 53.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.93 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -54.54 112.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.646 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.84 146.11 4.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.985 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.09 144.25 92.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.657 2.238 . . . . 0.0 112.654 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.11 171.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.62 18.24 37.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.47 -179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -118.4 129.49 55.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -54.34 128.55 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.724 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 p -108.67 26.21 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.509 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -164.66 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 179.672 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 6.7 ttpt 49.53 28.07 2.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.474 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.82 169.11 12.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.005 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -69.86 -22.39 63.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -94.01 -31.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 1.1 m -151.77 177.79 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.134 0.492 . . . . 0.0 111.614 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 14.7 m -165.47 121.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.346 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 m-70 -131.59 -177.73 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 111.25 -179.279 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -123.87 167.16 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.31 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.58 169.49 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 111.142 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -122.3 15.31 10.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.29 26.38 4.83 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.886 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 -23.65 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.596 0.236 . . . . 0.0 111.472 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.93 ' HA ' HD11 ' A' ' 15' ' ' LEU . 2.1 m -160.4 152.18 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 110.818 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 29.3 m -82.67 -1.17 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.216 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.24 75.56 7.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.39 . . . . 0.0 110.748 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 46.0 t -47.51 118.19 5.63 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.18 159.43 2.76 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.478 2.118 . . . . 0.0 112.309 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 t -97.66 27.78 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -139.9 138.08 19.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.6 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.816 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.767 0.318 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.61 -155.31 25.27 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.68 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.55 -46.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.784 2.323 . . . . 0.0 113.046 -179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -64.63 -49.45 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 111.271 -179.662 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -80.66 136.18 36.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.83 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -146.32 9.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -38.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -126.81 144.37 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.099 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -52.8 128.84 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.662 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -59.96 156.0 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.48 131.58 38.98 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.487 2.125 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -46.32 161.0 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.46 9.19 73.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.409 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.8 m -113.41 119.48 37.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 3.6 t -45.18 115.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.313 -179.623 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 8.1 p -92.53 33.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.269 -179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.07 -71.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.957 0.408 . . . . 0.0 111.515 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.66 28.29 11.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.64 HG22 HG12 ' A' ' 27' ' ' VAL . 4.7 m -52.87 152.36 3.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 9.1 t -77.35 55.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.64 HG12 HG22 ' A' ' 25' ' ' THR . 6.7 p 166.78 -30.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.18 -74.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.18 117.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.253 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 21' ' ' THR . 9.4 m-70 -130.09 -164.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -178.853 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.744 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 7.2 m-85 -150.37 136.78 18.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.923 0.392 . . . . 0.0 111.388 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -79.47 145.37 33.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.415 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 3.6 p -102.02 16.49 25.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.72 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 47.27 48.35 20.83 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.674 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.772 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -137.81 -43.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.417 -179.732 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 85.5 p -140.89 162.3 35.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.232 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 43.8 t -77.76 -9.43 59.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -81.74 101.97 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 0.0 111.169 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 50.0 t -67.34 122.23 82.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 39' ' ' CYS . 11.2 Cg_endo -54.68 163.72 3.69 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.478 2.118 . . . . 0.0 112.33 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -97.42 29.11 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -149.66 143.81 17.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.553 2.169 . . . . 0.0 112.388 -179.982 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.889 0.376 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.83 175.81 35.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 35.6 Cg_exo -59.96 -43.02 39.62 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.554 2.169 . . . . 0.0 112.241 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -33.55 75.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.933 0.396 . . . . 0.0 110.515 179.62 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 128.04 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.915 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -10.57 55.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 168.52 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.459 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -170.55 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -108.37 131.23 54.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -46.92 117.86 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -47.05 147.1 2.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.22 131.95 44.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.491 2.127 . . . . 0.0 112.272 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -47.86 164.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.52 13.58 60.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.475 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -121.68 124.34 44.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.688 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 12.2 t -48.0 123.77 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.568 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -105.86 31.58 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER -174.0 -71.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 111.508 -179.711 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.613 -179.454 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.68 HG22 HG12 ' A' ' 27' ' ' VAL . 10.5 m -57.92 132.63 53.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.725 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -47.88 -27.8 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.68 HG12 HG22 ' A' ' 25' ' ' THR . 11.6 p -96.5 -22.14 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.451 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -158.86 110.17 2.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.876 0.369 . . . . 0.0 111.795 -179.396 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -98.25 133.26 42.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.178 179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.9 m-70 -133.18 173.17 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.333 -179.204 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.688 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.87 137.82 50.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.241 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.8 t -76.37 144.38 40.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.407 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 17.0 p -101.46 17.47 22.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.74 34.62 5.44 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.934 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.616 ' C ' HD13 ' A' ' 15' ' ' LEU . 14.6 ttt85 -118.4 -40.35 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 t -139.71 172.89 12.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -94.3 10.4 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.71 100.76 9.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 33.7 t -57.53 110.9 2.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.77 176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.521 2.148 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.18 27.59 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -153.54 146.7 17.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.416 -179.914 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.36 -151.38 11.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.798 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.35 -43.61 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.928 -179.534 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -72.01 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.559 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 24.4 p -66.5 122.38 17.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -54.09 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -144.03 9.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.937 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.76 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 140.29 51.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.78 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.17 136.89 8.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.792 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -52.52 141.18 34.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.747 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.53 129.63 27.19 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.516 2.144 . . . . 0.0 112.545 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.4 106.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.76 25.13 3.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -126.46 132.83 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.168 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.547 HG21 ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -52.87 116.95 2.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.517 -179.469 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.8 p -97.36 22.84 8.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.42 -72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HG2' HG21 ' A' ' 21' ' ' THR . 2.9 tmtm? 60.89 25.18 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.749 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 27' ' ' VAL . 85.3 m -58.77 142.62 49.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -46.76 -27.86 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.564 ' H ' HG22 ' A' ' 25' ' ' THR . 12.5 p -111.19 -16.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.731 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -145.3 104.85 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.853 0.358 . . . . 0.0 111.892 -179.271 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 4.5 m -107.57 110.51 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.058 178.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -123.36 165.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.642 -178.562 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.6 m-85 -118.97 155.21 31.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 t -90.07 161.72 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 p -116.72 18.32 14.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.14 41.84 11.72 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.761 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -43.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.299 . . . . 0.0 111.3 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -146.11 170.5 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -81.07 -5.38 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.75 104.49 13.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 111.249 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -75.04 123.34 88.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.328 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.89 145.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.649 2.233 . . . . 0.0 112.795 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -96.47 25.57 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -138.11 145.29 47.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 C--N 1.345 0.367 0 C-N-CA 122.539 2.159 . . . . 0.0 112.331 -179.965 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.26 164.63 35.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.8 -28.04 36.86 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.665 2.243 . . . . 0.0 112.5 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.38 -13.86 45.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 110.951 179.487 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -93.95 119.65 33.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.644 179.873 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -59.26 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -117.32 -24.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.936 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.13 34.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -159.22 141.03 13.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.759 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.0 114.54 2.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.96 179.917 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.7 mttp -58.78 140.59 85.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.635 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.8 Cg_exo -60.78 127.06 21.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.368 2.045 . . . . 0.0 112.56 -179.756 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -45.71 118.36 1.78 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.168 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 121.54 3.62 10.19 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.552 -179.603 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 m -113.76 127.11 55.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.766 0.317 . . . . 0.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.3 t -47.75 117.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 6.0 p -99.01 34.38 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -177.11 -71.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.405 . . . . 0.0 111.451 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp 61.3 26.94 16.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.72 -179.567 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.676 HG22 HG12 ' A' ' 27' ' ' VAL . 5.4 m -59.24 132.29 53.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -48.7 -27.79 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 HG22 ' A' ' 25' ' ' THR . 11.8 p -95.46 -22.8 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -159.04 110.14 2.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 111.584 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -98.15 133.97 41.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.344 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.4 m-70 -134.03 170.66 15.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.141 -179.339 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -127.42 139.87 52.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.023 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.38 141.15 43.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 110.438 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.475 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.1 p -103.18 20.05 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.19 28.23 1.94 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.908 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.649 ' C ' HD21 ' A' ' 15' ' ' LEU . 4.5 ttm-85 -106.34 -31.81 8.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.759 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.8 m -155.28 171.36 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.75 ' SG ' HD12 ' A' ' 15' ' ' LEU . 10.3 m -93.31 9.75 34.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -109.87 91.6 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.402 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 16.6 t -46.25 132.96 7.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 38.3 Cg_endo -66.57 173.88 7.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.553 2.169 . . . . 0.0 112.385 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -100.14 30.36 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 14.7 p90 -138.35 148.15 58.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.184 . . . . 0.0 112.321 -179.968 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.25 171.61 39.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.709 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.61 -25.86 61.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.873 2.382 . . . . 0.0 112.692 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -91.03 -25.3 19.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.306 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 110.86 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.629 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -69.36 -11.38 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.477 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 169.96 -27.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.676 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -173.6 -29.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.338 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -111.39 130.52 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 0.0 110.575 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.818 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.45 124.85 3.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 111.174 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -49.4 146.78 6.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.3 126.7 18.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.189 . . . . 0.0 112.529 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -47.8 149.23 1.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.151 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.13 4.69 84.07 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.685 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.2 m -111.5 112.46 24.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -56.36 119.26 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -94.95 -36.37 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.474 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -84.69 -77.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.182 -178.642 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 tptt 59.47 22.96 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.544 -179.045 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.809 HG23 ' H ' ' A' ' 28' ' ' SER . 9.0 t -52.95 163.31 0.51 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -84.26 57.23 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.221 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p 177.54 -32.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.406 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.809 ' H ' HG23 ' A' ' 25' ' ' THR . 4.1 t -155.38 93.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.239 -179.493 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 25.6 p -80.87 158.44 25.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.653 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 38.1 m-70 -147.63 172.22 14.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.968 0.413 . . . . 0.0 111.631 -179.393 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -126.35 133.38 51.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.57 179.863 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 144.14 49.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.742 0.306 . . . . 0.0 110.426 179.826 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -101.19 20.54 15.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 47.08 27.57 3.65 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.849 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.8 mmt85 -130.65 -53.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.03 0.443 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -98.04 155.9 16.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.62 12.37 29.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 12.2 pt-20 -133.25 113.09 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.836 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -45.88 142.13 3.93 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.32 178.07 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.622 2.215 . . . . 0.0 112.445 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -96.19 25.83 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -153.09 144.6 16.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.684 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.349 -179.892 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.956 0.407 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.94 167.48 37.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.404 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.6 -24.17 60.87 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.625 2.217 . . . . 0.0 112.512 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.85 -27.13 40.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.77 179.734 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 138.51 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -86.99 -33.68 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 173.56 4.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.931 179.849 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' H ' ' H ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 175.19 -34.73 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.696 0.284 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -126.56 145.62 50.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -54.69 127.11 26.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -53.36 163.05 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.4 134.0 32.0 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.516 2.144 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.05 139.96 21.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.89 21.49 59.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.326 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.3 m -125.24 123.59 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.621 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.49 127.66 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.804 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 14.1 p -115.25 -42.97 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -83.46 -71.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.356 -179.491 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttm 55.39 30.11 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.727 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 26' ' ' SER . 85.5 m -50.19 162.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 22.9 t -80.13 53.45 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.842 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.1 p 168.99 -33.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -137.32 103.16 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -99.22 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.4 m170 -118.36 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.234 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.621 ' CE1' HG23 ' A' ' 21' ' ' THR . 23.3 m-85 -138.5 166.86 23.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.93 148.99 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.463 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -108.18 21.78 16.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.27 6.94 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.734 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.694 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.6 tpt180 -115.18 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 p -123.37 172.98 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.64 11.41 31.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.6 106.43 13.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -51.71 145.49 15.91 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 69.0 Cg_endo -74.16 178.61 6.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.568 2.178 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -97.71 28.28 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 13.0 p90 -137.13 145.13 48.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.74 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 17.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.44 2.093 . . . . 0.0 112.443 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 -167.38 34.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.95 -47.25 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.654 2.236 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.08 -70.0 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -55.11 127.08 27.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 7.9 ptt85 -58.33 -28.46 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 14.7 tt0 173.45 -30.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.072 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.67 23.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -166.92 116.93 0.88 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.722 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.27 117.56 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -43.67 152.69 0.43 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.47 128.9 23.62 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.07 25.85 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.313 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -136.22 136.61 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.75 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.18 126.03 25.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.763 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.1 p -108.84 -29.63 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.315 -179.663 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.5 -73.43 0.67 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.744 -179.294 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 57.37 30.53 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.656 -179.321 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' SER . 12.3 t -53.61 172.38 0.07 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -18.26 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.183 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.675 ' H ' HG23 ' A' ' 25' ' ' THR . 22.6 t -153.94 47.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.566 -179.614 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.909 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 170.79 91.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -98.5 115.59 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -119.52 147.85 43.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CE1' HG23 ' A' ' 21' ' ' THR . 21.2 m-85 -100.8 153.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.22 147.27 26.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 p -106.99 19.11 20.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.3 48.39 15.78 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.698 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -43.01 1.0 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.676 0.274 . . . . 0.0 111.509 -179.655 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -159.76 174.49 14.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.1 -21.27 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.59 101.64 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -77.14 147.61 76.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -50.93 165.8 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.579 2.186 . . . . 0.0 112.394 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.87 31.36 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -149.11 149.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.989 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.888 0.375 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -169.09 27.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.76 -19.49 41.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.546 2.164 . . . . 0.0 112.609 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 41.8 t -100.83 -34.85 9.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 179.793 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 143.13 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.68 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -107.34 -85.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -100.52 -32.22 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.59 35.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.928 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -168.87 125.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.509 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.803 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.52 128.5 5.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.129 0.49 . . . . 0.0 111.372 -179.664 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -51.02 162.82 0.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 140.68 93.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.59 159.34 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.83 26.44 65.22 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.116 -179.674 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -125.1 130.81 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.98 114.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.872 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 3.0 p -107.15 34.95 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 1.6 t90 -167.05 -70.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.713 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.28 31.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.454 . . . . 0.0 110.899 -179.354 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -50.52 172.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.062 -179.873 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 58.3 m -82.56 53.72 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.711 179.803 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.1 p 175.52 -35.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.669 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -142.36 133.58 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.227 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 54.7 p -117.8 113.47 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.481 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.7 m170 -113.4 166.42 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.601 -179.094 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 21' ' ' THR . 8.7 m-85 -116.63 155.43 28.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.76 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -123.19 16.39 9.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.49 25.36 13.19 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.782 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -117.67 -43.03 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 155.38 49.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.0 m -82.94 -0.18 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -90.8 90.49 7.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 t -47.63 116.09 4.23 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 42' ' ' TYR . 80.9 Cg_exo -47.96 171.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.53 2.154 . . . . 0.0 112.551 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -97.83 26.44 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 40' ' ' PRO . 11.0 p90 -127.64 145.49 55.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo . . . . . 0 C--N 1.345 0.372 0 C-N-CA 122.513 2.142 . . . . 0.0 112.403 -179.857 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.953 0.406 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.56 165.94 37.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.8 Cg_endo -54.45 -25.34 39.65 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.562 2.175 . . . . 0.0 112.422 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -95.74 18.02 13.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 178.94 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.88 118.93 27.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.665 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.28 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 7.6 tt0 -115.59 -28.31 6.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.947 0.403 . . . . 0.0 110.286 179.292 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 43.2 t 175.4 38.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.829 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -155.2 118.73 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.813 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.7 tt -45.58 113.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -50.82 143.14 15.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.27 123.92 12.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.513 2.142 . . . . 0.0 112.521 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -44.66 150.62 0.33 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.86 17.54 80.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.6 m -127.62 121.08 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.515 179.897 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 8.0 t -51.12 126.52 16.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.056 0.455 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.31 -39.59 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.997 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.2 t90 -86.38 -74.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.777 -179.075 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 56.28 23.94 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.505 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.789 HG23 ' H ' ' A' ' 28' ' ' SER . 10.2 t -54.67 167.16 0.38 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.3 m -84.2 56.73 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.212 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p 178.1 -34.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.343 179.759 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.789 ' H ' HG23 ' A' ' 25' ' ' THR . 4.5 t -153.0 99.95 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 -179.607 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.413 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 18.4 m -86.01 154.76 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.671 179.577 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' C ' ' A' ' 29' ' ' SER . 23.9 m-70 -143.87 -172.2 3.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.832 0.348 . . . . 0.0 111.223 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 4.9 m-85 -141.36 126.48 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -68.98 140.64 55.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.595 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.443 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 13.2 p -99.85 19.27 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.741 -179.888 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.691 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 46.06 27.33 2.48 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.89 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.813 ' C ' HD11 ' A' ' 15' ' ' LEU . 6.2 mtt85 -114.81 -28.43 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.729 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.0 t -146.69 171.39 15.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.629 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 2.2 m -102.25 17.74 22.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -126.27 103.81 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 8' ' ' PRO . 33.6 m -53.65 143.64 37.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.348 -179.779 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.85 178.17 7.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.624 2.216 . . . . 0.0 112.168 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -98.04 35.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.54 144.07 15.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 122.531 2.154 . . . . 0.0 112.324 -179.975 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.803 0.335 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.49 -177.93 34.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.4 -24.13 37.18 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.773 2.315 . . . . 0.0 112.724 -179.81 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 50.9 t -107.5 53.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.428 . . . . 0.0 111.157 -179.832 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.38 115.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.006 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 46.18 87.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.504 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.4 m 34.85 53.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.26 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -153.1 114.0 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.764 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.6 mt -47.09 106.11 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.472 179.772 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -56.71 145.33 62.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.303 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.43 131.91 22.72 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.511 2.141 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -49.56 163.45 0.12 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.74 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.69 9.22 65.06 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.5 m -116.3 118.25 32.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.686 0.279 . . . . 0.0 110.507 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' THR . 9.5 t -43.66 96.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.985 0.421 . . . . 0.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' HIS . 8.3 p -60.63 -38.87 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.325 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -105.46 -72.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.449 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.59 ' HG3' HG21 ' A' ' 21' ' ' THR . 6.8 tttt 71.84 24.63 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 27' ' ' VAL . 98.1 m -62.17 148.23 45.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 179.808 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -47.16 -28.59 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.593 -179.672 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.56 ' H ' HG22 ' A' ' 25' ' ' THR . 12.5 p -119.13 -27.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.747 -179.699 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -118.36 92.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.839 -179.194 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.44 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -100.69 123.32 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.746 178.805 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 29' ' ' SER . 5.3 m-70 -137.07 146.52 45.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.991 -178.856 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-30 -98.88 137.2 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 143.22 56.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -94.07 10.47 33.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 44.8 56.1 5.94 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.921 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -169.04 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -133.66 162.51 31.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 111.347 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 28.4 m -82.79 -19.33 37.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.35 138.0 57.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.1 m -107.12 129.76 23.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.003 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.84 178.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.384 2.056 . . . . 0.0 112.103 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -109.19 30.9 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -160.69 146.96 11.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 C--N 1.344 0.321 0 C-N-CA 122.564 2.176 . . . . 0.0 112.397 -179.949 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.989 0.423 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.23 -166.88 20.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.32 -9.45 21.73 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.629 2.219 . . . . 0.0 112.839 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 51.3 t -118.84 -23.31 7.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.64 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.27 137.85 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.792 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -121.26 93.51 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 77.86 -57.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -174.9 32.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -161.68 118.3 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.622 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -45.94 120.13 2.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.758 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -46.24 168.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.18 145.82 79.67 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.614 2.21 . . . . 0.0 112.423 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -60.14 154.93 18.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 179.533 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.93 18.9 69.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.401 -179.712 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.2 m -117.56 124.31 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.417 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.868 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -50.06 123.94 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 111.005 -179.762 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 23.6 p -111.11 -35.53 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.31 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 -73.26 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.437 -179.571 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.4 tttp 61.45 37.77 16.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.02 173.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.9 p -139.44 39.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.905 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.66 -75.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 -179.886 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 43.8 m 53.72 97.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.186 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 6.0 m-70 -131.73 132.61 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.134 -179.306 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.868 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.4 m-85 -85.77 160.84 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 162.98 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.673 179.778 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.462 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.5 p -117.78 20.51 13.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 26.74 5.87 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.785 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.76 -36.28 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.596 ' HA ' HD22 ' A' ' 15' ' ' LEU . 35.5 m -139.39 171.39 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -91.63 8.11 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 159.0 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.731 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.8 m -104.41 135.33 19.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 39' ' ' CYS . 51.8 Cg_exo -54.99 177.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.199 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -101.74 24.69 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -149.2 147.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 -179.947 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.92 -162.14 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.24 -25.03 7.47 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.738 2.292 . . . . 0.0 113.031 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 53.7 t -114.82 69.4 0.72 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.76 0.314 . . . . 0.0 111.376 -179.782 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.06 7.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -137.31 6.17 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.58 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.1 t 177.66 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.044 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -112.52 141.29 46.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HA ' ' A' ' 36' ' ' SER . 1.7 pp -50.81 127.55 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.739 ' O ' HD12 ' A' ' 15' ' ' LEU . 7.1 mttt -47.28 160.45 0.36 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.403 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -74.66 152.07 42.1 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.794 2.329 . . . . 0.0 113.037 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.25 166.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.002 179.45 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.53 18.08 35.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.837 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -126.34 114.51 18.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.755 HG21 ' HD3' ' A' ' 24' ' ' LYS . 14.3 t -49.63 115.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.88 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.5 p -90.16 -30.5 17.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -179.756 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -75.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.321 -179.622 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.755 ' HD3' HG21 ' A' ' 21' ' ' THR . 4.7 tptt 59.4 27.82 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 28' ' ' SER . 6.7 t -55.79 168.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.483 179.777 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.36 57.51 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.358 -179.532 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.5 p 177.14 -35.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.433 179.697 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.783 ' H ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.4 -79.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.366 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 25' ' ' THR . 1.2 m 79.2 119.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.311 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -135.3 172.64 12.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.679 -178.855 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -122.93 126.36 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.276 179.51 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.6 153.87 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 111.186 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.497 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.1 p -109.97 21.28 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.509 179.759 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.529 ' C ' HD11 ' A' ' 15' ' ' LEU . . . 47.34 27.9 4.27 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.825 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -103.02 -32.73 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.74 ' HA ' HD22 ' A' ' 15' ' ' LEU . 30.6 t -163.3 170.91 16.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.96 -21.36 61.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.23 130.88 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.3 m -95.95 142.87 25.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.96 177.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.177 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -111.47 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -148.52 146.3 22.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.466 2.111 . . . . 0.0 112.348 -179.976 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.734 0.302 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -153.33 20.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.763 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.07 -50.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.791 2.327 . . . . 0.0 113.219 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -49.71 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -179.47 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -81.98 127.09 32.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -54.96 -81.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.46 8.72 1.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.694 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.58 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -121.37 129.46 53.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -50.13 117.7 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.703 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -48.47 138.43 11.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.59 140.01 75.74 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.616 2.21 . . . . 0.0 112.381 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.96 149.05 0.94 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.05 9.23 85.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.374 -179.62 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -109.88 116.06 30.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 4.2 t -43.12 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.427 -179.635 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 p -64.09 -17.25 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.454 -179.721 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -76.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.815 -179.671 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG3' HG21 ' A' ' 21' ' ' THR . 4.8 tttt 66.96 22.75 10.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.417 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 28' ' ' SER . 12.2 t -54.67 174.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.609 ' O ' HG13 ' A' ' 27' ' ' VAL . 89.1 p -83.85 12.35 6.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.907 -179.542 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.82 ' H ' HG23 ' A' ' 25' ' ' THR . 2.9 m -160.86 28.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.627 0.251 . . . . 0.0 111.381 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.929 ' O ' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER 168.15 92.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.073 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -95.64 132.81 40.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.719 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' O ' ' HA ' ' A' ' 21' ' ' THR . 7.6 m-70 -126.64 -160.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 11.0 m-85 -154.95 130.24 9.67 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.99 148.99 41.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 p -104.08 18.68 21.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 48.58 17.58 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.82 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -133.67 -44.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.854 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.89 174.49 10.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.821 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.4 -3.22 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.7 121.49 25.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -91.68 115.77 65.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -43.34 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.628 2.218 . . . . 0.0 112.682 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.3 p -104.33 27.27 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -146.5 147.33 30.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.323 -179.955 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 166.64 36.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.25 -21.3 43.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -90.31 -33.07 16.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 110.71 179.836 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 117.47 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.796 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -64.12 -16.66 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 169.14 -29.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.908 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.78 148.27 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.643 179.792 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.733 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -53.12 125.11 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.911 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -52.79 159.76 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 131.21 26.43 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.537 2.158 . . . . 0.0 112.367 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.03 116.55 1.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 16.12 7.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -120.58 136.5 54.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.663 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.71 124.7 20.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -179.634 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.6 p -109.04 25.16 12.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -73.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.542 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 5.5 ttpm? 63.23 32.49 14.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.63 -179.697 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 28' ' ' SER . 14.1 m -67.56 165.06 17.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.817 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 25' ' ' THR . 1.5 m -66.79 -26.58 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.702 -179.454 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.2 p -131.09 34.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -148.95 -75.49 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.845 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 53.7 m 51.69 98.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.798 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.0 m-70 -130.2 173.58 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.476 -178.951 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 21' ' ' THR . 26.7 m-85 -129.66 159.34 36.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.047 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 153.38 21.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -111.64 23.26 14.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 28.83 7.51 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.733 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -109.05 -64.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 111.041 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 p -128.95 171.9 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.6 m -87.08 3.4 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -92.93 92.47 7.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.65 126.49 13.24 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.746 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 12.4 Cg_endo -56.12 159.8 11.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 112.499 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -97.51 25.38 5.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 38.4 p90 -139.67 147.42 51.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.343 0.276 0 C-N-CA 122.54 2.16 . . . . 0.0 112.298 -179.924 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.89 0.376 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 179.94 39.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.75 -14.69 13.89 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.701 2.268 . . . . 0.0 113.314 -179.467 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 1.2 t -100.67 21.47 13.38 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' HD22 ' A' ' 15' ' ' LEU . 60.8 m -132.39 135.11 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 179.707 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -54.83 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 5.4 tt0 -145.65 6.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 45.3 t 177.17 -30.62 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -112.41 154.08 26.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.352 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.85 HD11 ' O ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -59.68 120.89 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.624 179.696 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -55.3 146.13 43.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.36 131.84 35.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.515 2.143 . . . . 0.0 112.408 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.38 154.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.61 20.6 77.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.343 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -127.69 131.54 49.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.992 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.66 140.59 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -140.99 26.92 2.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.508 -179.436 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.2 t90 -157.95 -65.72 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 6.0 ptpp? 45.81 47.77 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.14 0.495 . . . . 0.0 110.486 -179.252 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 25' ' ' THR . 98.6 m -67.21 64.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.463 -179.365 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m 72.29 -57.01 0.64 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.23 0.538 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 28' ' ' SER . 8.1 p -129.01 -40.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -76.0 87.5 2.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.72 179.792 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.42 110.5 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.698 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -110.78 125.16 53.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.309 -179.179 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.992 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.2 m-85 -80.66 151.5 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.25 153.09 32.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 p -105.2 12.88 31.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.617 179.41 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 55.22 7.11 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.77 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -160.08 -41.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.695 -179.744 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.85 ' O ' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -132.21 153.59 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 111.458 -179.596 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.67 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.71 -12.62 61.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.078 179.715 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -87.6 108.34 19.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.977 -179.884 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.19 148.2 95.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.751 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 54.0 Cg_exo -52.0 177.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.53 2.153 . . . . 0.0 112.237 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -117.57 36.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 44.4 p90 -152.93 148.29 20.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--N 1.344 0.293 0 C-N-CA 122.588 2.192 . . . . 0.0 112.263 -179.953 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.834 0.349 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.87 -152.51 8.48 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.43 -45.9 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.572 2.182 . . . . 0.0 112.246 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -72.03 -35.65 69.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.048 0.452 . . . . 0.0 110.529 179.631 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -69.19 168.47 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -167.59 -66.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 26.5 mt-30 -98.05 19.44 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.827 179.563 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 82.92 31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.405 -179.296 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -154.05 112.62 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.26 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.791 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.45 118.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.164 0.507 . . . . 0.0 111.994 -179.396 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -46.2 151.11 0.98 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.93 143.15 99.7 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.69 22.95 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -124.21 123.51 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -55.19 113.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.736 179.908 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 29.0 p -95.07 -40.72 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.36 -179.449 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -99.19 -58.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.305 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.2 30.2 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.199 -179.618 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.546 HG22 HG12 ' A' ' 27' ' ' VAL . 6.4 m -62.91 141.01 58.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -54.3 -30.71 51.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 HG22 ' A' ' 25' ' ' THR . 12.1 p -89.92 -28.44 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -156.13 107.74 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.539 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -98.89 122.42 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -122.14 -170.42 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CE1' HG23 ' A' ' 21' ' ' THR . 9.6 m-85 -142.46 157.13 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.72 179.864 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.8 148.21 24.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.764 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.6 p -103.95 15.98 27.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 33.92 6.75 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.937 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 -46.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.369 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 172.59 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.799 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 94.0 m -103.97 17.98 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -112.94 98.88 7.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.755 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.8 137.54 83.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 177.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.404 2.069 . . . . 0.0 112.178 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -111.72 37.69 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -162.6 149.52 10.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.344 0.302 0 C-N-CA 122.565 2.177 . . . . 0.0 112.339 179.96 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.839 0.352 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.84 166.78 15.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.624 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HG2' ' HB3' ' A' ' 39' ' ' CYS . 46.6 Cg_endo -68.61 -8.97 24.75 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.756 2.304 . . . . 0.0 112.915 -179.805 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -102.01 42.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.807 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -176.89 131.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 106.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.05 179.352 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 70.37 -68.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 109.849 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -163.85 31.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.474 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.56 116.3 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 36' ' ' SER . 16.0 mt -44.44 100.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.797 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 140.16 69.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.64 135.69 58.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.519 2.146 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.2 164.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.48 17.04 56.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.401 -179.638 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -120.69 136.14 54.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.442 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -56.92 128.02 34.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.345 -179.569 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.1 p -109.98 24.19 13.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.961 179.662 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -165.1 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.565 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 55.44 33.38 20.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.728 -179.616 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' SER . 15.3 t -52.77 177.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -61.5 -22.76 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.272 -179.147 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.598 ' H ' HG23 ' A' ' 25' ' ' THR . 23.1 t -154.24 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.811 0.339 . . . . 0.0 111.575 -179.5 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.909 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.11 86.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.056 179.837 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -94.41 130.26 40.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.793 179.825 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 21' ' ' THR . 9.9 m-70 -122.8 -176.72 3.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -131.97 155.72 47.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.09 -179.725 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.08 150.68 23.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.7 t -109.26 16.51 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.743 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.4 37.34 8.3 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.86 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 33' ' ' THR . 77.5 mtt180 -118.13 -39.25 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 -179.737 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.66 ' HA ' HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -149.26 170.45 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.76 -10.24 59.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.377 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.64 119.43 21.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.408 ' HB3' ' HG2' ' A' ' 8' ' ' PRO . 53.8 t -86.3 113.7 53.64 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 91.0 Cg_exo -44.02 163.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.662 2.242 . . . . 0.0 112.672 -179.742 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 1.6 m -101.0 29.42 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 40' ' ' PRO . 16.2 p90 -133.87 146.79 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 C--N 1.345 0.375 0 C-N-CA 122.584 2.189 . . . . 0.0 112.376 179.982 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 120.959 0.409 . . . . 0.0 112.089 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.61 -147.67 5.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.507 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.42 -20.59 5.79 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.772 2.315 . . . . 0.0 113.209 -179.552 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -106.3 41.24 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.817 0.341 . . . . 0.0 111.467 -179.49 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 p 176.66 177.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.777 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 179.94 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.41 6.16 24.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t 68.08 44.64 1.43 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -167.55 51.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 111.197 179.609 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.851 HD21 ' HA ' ' A' ' 36' ' ' SER . 0.1 OUTLIER 39.54 105.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.329 179.248 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.21 146.08 3.27 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.997 179.422 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.01 139.09 77.11 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.565 2.177 . . . . 0.0 112.513 -179.798 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 169.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.78 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.76 19.79 44.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.411 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.5 m -118.5 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -57.22 127.69 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.764 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -110.94 28.09 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.47 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.99 0.424 . . . . 0.0 111.137 179.74 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttt 51.49 26.84 3.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 -179.461 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 172.72 1.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.014 -179.784 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -20.1 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.84 -27.62 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.365 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.607 ' HB3' ' CE3' ' A' ' 23' ' ' TRP . 11.1 t -148.61 -170.14 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.098 0.475 . . . . 0.0 111.738 -179.088 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p 179.55 122.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.305 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -131.71 -167.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.083 -179.23 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.99 162.09 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.18 156.19 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 p -112.26 16.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.95 48.97 18.49 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.839 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -138.31 -45.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.232 -179.809 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.851 ' HA ' HD21 ' A' ' 15' ' ' LEU . 1.9 m -142.3 165.45 27.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 54.1 m -83.82 -1.13 53.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.471 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.86 83.16 6.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.3 t -57.93 136.24 83.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.03 147.35 5.15 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.567 2.178 . . . . 0.0 112.62 -179.764 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.73 18.07 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -144.08 144.3 25.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.467 2.111 . . . . 0.0 112.393 -179.921 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 179.82 19.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.03 -23.58 15.9 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.654 2.236 . . . . 0.0 112.574 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -100.89 47.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.005 0.431 . . . . 0.0 111.041 -179.891 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 130.8 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -58.3 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 1.7 tm0? -142.74 7.0 1.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.725 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 50.6 t 177.09 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.241 . . . . 0.0 111.379 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -115.04 157.02 24.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 110.975 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 36' ' ' SER . 2.3 mt -58.06 128.67 38.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.657 179.811 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -52.7 145.74 20.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.636 179.883 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.14 122.07 10.97 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.128 . . . . 0.0 112.3 -179.861 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.75 1.88 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.36 25.86 64.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.182 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -131.2 136.83 48.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.298 . . . . 0.0 110.645 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.987 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.05 124.95 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.805 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.5 p -104.32 -41.0 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 -179.824 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -72.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 111.242 -179.801 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 62.66 30.93 16.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.857 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 26' ' ' SER . 1.6 m -64.29 172.61 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 179.742 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 25' ' ' THR . 0.7 OUTLIER -86.75 46.83 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.6 p 173.42 -35.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -76.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.129 -179.7 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 71.0 m 59.48 97.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.976 -179.805 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.1 m-70 -131.31 169.89 15.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.292 -179.182 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.987 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.7 m-85 -118.26 159.33 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.663 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 149.84 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 p -109.36 17.72 21.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.61 179.489 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 49.78 16.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.765 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.5 ttt180 -138.3 -45.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.428 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.524 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -140.28 162.56 34.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.733 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 1.7 m -78.42 -7.42 57.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.376 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.25 102.16 12.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -62.11 144.89 93.99 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -51.77 171.22 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.4 m -111.13 23.76 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -149.7 146.2 20.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.761 179.891 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.5 2.133 . . . . 0.0 112.343 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.0 mtm -140.55 94.68 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -100.24 32.28 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 m -90.57 -27.03 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.91 66.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 145.07 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 176.95 33.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.04 -28.54 19.04 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.421 2.08 . . . . 0.0 112.168 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 179.246 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -97.22 114.68 26.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.583 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -54.67 -23.89 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 167.75 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.795 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -177.57 34.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.716 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -156.53 116.73 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.859 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.6 tt -46.46 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -51.92 149.14 9.44 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.61 131.57 30.01 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.562 2.175 . . . . 0.0 112.403 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -51.53 154.51 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.78 24.54 72.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.352 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.7 m -124.4 125.96 45.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.973 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.19 112.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.791 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.1 p -99.41 -41.95 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -91.06 -70.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 58.21 28.91 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -59.31 135.18 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 p -52.69 -34.81 53.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -87.02 -19.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -163.78 115.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.954 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -102.49 132.59 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.7 m-70 -132.18 -168.52 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.9 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.973 ' CE2' HG23 ' A' ' 21' ' ' THR . 7.1 m-85 -149.59 155.52 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.784 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.66 146.2 23.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.482 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.454 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 19.7 p -107.06 21.62 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.736 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.614 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 47.87 27.29 4.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.859 ' C ' HD11 ' A' ' 15' ' ' LEU . 31.6 mtt85 -114.99 -27.9 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.707 0.289 . . . . 0.0 111.254 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.574 ' N ' HD11 ' A' ' 15' ' ' LEU . 29.0 t -147.27 173.76 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -102.23 17.63 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -127.12 104.84 8.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.2 m -51.42 145.83 13.62 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 173.88 10.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.581 2.187 . . . . 0.0 112.287 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 p -97.81 25.79 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -143.84 148.3 41.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.33 136.77 29.62 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -100.3 75.31 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -137.7 31.39 2.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.7 tpp -131.86 35.61 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -85.97 156.4 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.721 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -104.66 -13.54 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 4' ' ' CYS . 0.7 OUTLIER 60.15 130.33 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.978 0.418 . . . . 0.0 110.952 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -140.3 161.32 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.44 -158.8 27.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.399 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.29 -23.98 17.19 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 0.0 112.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -97.16 -33.83 11.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' SG ' HG23 ' A' ' 5' ' ' THR . 3.8 m -99.86 159.13 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -174.66 -42.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 18.2 mt-30 -94.2 14.84 18.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 26.0 t 76.9 27.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.5 105.38 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.33 117.77 0.74 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.0 mtmt -42.46 146.17 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.413 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 40.9 Cg_exo -56.43 136.18 74.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.561 2.174 . . . . 0.0 112.494 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.44 114.02 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.68 18.73 5.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -128.21 135.64 49.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.412 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.65 130.62 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 31.4 p -110.22 -27.97 8.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -71.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 111.343 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp 55.37 32.82 19.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 28' ' ' SER . 14.5 t -55.22 177.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 t -62.11 -21.75 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.195 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.586 ' H ' HG23 ' A' ' 25' ' ' THR . 22.7 t -154.16 47.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.881 0.372 . . . . 0.0 111.619 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.908 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 174.44 86.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.062 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -94.3 133.2 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -134.78 155.96 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -107.0 155.76 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 153.13 17.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.419 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 11.8 p -112.58 19.38 17.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' HD12 ' A' ' 15' ' ' LEU . . . 46.49 49.02 16.35 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.735 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 -46.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.312 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -153.31 173.75 15.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 37.7 m -72.71 -19.61 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.255 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.81 118.03 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.14 141.68 31.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.76 171.42 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.442 2.095 . . . . 0.0 112.259 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -105.31 26.32 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -160.16 141.9 9.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.96 -74.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.514 2.142 . . . . 0.0 112.385 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.22 68.82 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -60.09 -30.87 69.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.468 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 ttt -166.18 -65.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 t70 63.77 134.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.6 m 61.54 118.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 6' ' ' THR . 17.8 m -57.43 165.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.682 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -145.12 136.67 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.99 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.09 169.64 30.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.51 -27.37 68.54 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.684 2.256 . . . . 0.0 112.243 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.5 t -86.92 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 143.2 37.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -78.55 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -130.46 -0.58 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.685 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -179.54 -36.67 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.691 0.281 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -126.44 150.32 48.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.79 0.328 . . . . 0.0 110.742 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.773 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.42 142.61 4.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -60.48 163.76 8.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.69 130.18 32.26 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.492 2.128 . . . . 0.0 112.272 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.79 153.64 0.39 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.73 17.19 78.05 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.224 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.1 m -121.01 119.6 32.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.51 134.16 55.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 p -107.8 -36.67 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.277 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -93.98 -69.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 111.333 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 52.06 26.91 4.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.919 HG22 ' O ' ' A' ' 28' ' ' SER . 11.6 t -59.65 177.51 0.21 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -64.41 -20.11 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.391 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 27' ' ' VAL . 18.2 t -153.38 45.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.919 ' O ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER 172.16 87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.286 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 83.9 p -105.97 135.57 47.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -136.06 157.27 47.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -110.66 160.94 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.0 m -92.7 148.38 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -109.27 20.58 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.511 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.97 31.92 5.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 -125.27 -42.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.8 t -141.46 163.06 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.6 m -92.05 8.32 38.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.87 101.28 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.822 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.1 m -57.68 135.05 82.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 178.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.448 2.098 . . . . 0.0 112.286 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 p -109.42 29.69 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -162.2 144.19 8.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.707 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.51 112.75 3.61 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.5 2.134 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.12 117.27 5.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.5 -46.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.546 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.82 0.343 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 21.9 mtm -163.64 -177.61 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t70 60.39 169.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m -62.5 163.11 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 68.6 m -165.48 93.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.26 96.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.299 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.78 -164.47 11.07 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.653 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.99 -5.12 16.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.783 2.322 . . . . 0.0 113.137 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -108.49 -36.36 6.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.751 0.31 . . . . 0.0 111.1 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.0 m -99.96 114.45 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 111.178 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -115.47 -12.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 14.4 mt-30 -136.89 13.23 3.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER 80.13 36.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.881 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 15' ' ' LEU . 15.9 tttm -158.66 84.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.775 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -18.09 125.6 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.253 -179.519 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -47.42 144.34 4.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.52 125.68 12.86 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.59 2.193 . . . . 0.0 112.613 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.31 123.8 10.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.038 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.3 24.11 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.234 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -129.59 142.68 50.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.715 0.293 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.875 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.45 139.28 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.999 0.428 . . . . 0.0 111.153 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.07 -40.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.302 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -112.44 42.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.714 -179.223 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -67.58 66.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.743 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 28' ' ' SER . 10.1 t -77.48 174.07 11.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -64.2 -21.35 66.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.503 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.8 p -131.97 34.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 111.498 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.53 ' HB3' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER 177.63 173.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 59.0 p -178.85 117.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.736 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -120.82 158.25 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.875 ' CE2' HG23 ' A' ' 21' ' ' THR . 2.9 m-85 -104.72 129.24 52.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 153.04 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.736 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 p -105.02 18.82 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.04 39.33 11.66 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -136.16 -57.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -115.67 171.71 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.705 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 4.4 m -103.74 17.65 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.27 104.54 13.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.83 133.73 95.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 178.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.435 2.09 . . . . 0.0 112.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.73 30.86 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.65 144.53 14.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.763 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.67 138.12 28.65 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.505 2.137 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.83 175.56 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 60.24 78.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.56 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.833 0.349 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.4 mtp -64.1 177.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -103.88 78.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 4.5 p -57.52 147.56 26.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 37' ' ' CYS . 86.7 m -116.92 98.47 6.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.376 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.92 95.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.287 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.58 -157.96 9.15 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.683 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.8 Cg_endo -68.95 -53.3 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.675 2.25 . . . . 0.0 112.792 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -61.22 -30.44 70.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.955 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.86 136.49 34.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -94.56 -71.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.417 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 10.2 mt-30 -119.54 -25.82 5.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.947 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 53.3 t 161.16 47.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.05 0.54 . . . . 0.0 109.619 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -166.69 127.82 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -47.67 116.84 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.891 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -50.32 143.82 12.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.631 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.51 124.07 14.86 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.359 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.56 160.12 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.7 23.52 65.32 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.163 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -124.53 126.45 45.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.487 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.566 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -52.14 113.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.293 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.72 24.43 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.445 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -166.65 -73.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.719 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 60.49 28.59 18.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.613 HG22 HG12 ' A' ' 27' ' ' VAL . 98.6 m -53.83 155.93 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 18.8 t -77.68 55.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 25' ' ' THR . 8.0 p 170.15 -33.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -139.16 103.31 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.936 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -98.68 129.76 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.474 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 4.1 m-70 -126.42 -172.79 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.303 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CE2' HG23 ' A' ' 21' ' ' THR . 11.3 m-85 -149.62 141.75 24.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.96 146.46 35.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 p -100.21 16.92 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.57 27.06 4.14 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.655 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -141.65 18.8 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.748 0.308 . . . . 0.0 111.094 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.922 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -177.47 156.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.664 ' SG ' HD23 ' A' ' 15' ' ' LEU . 1.5 m -101.93 17.09 24.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.818 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -114.84 93.72 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 17.0 t -50.7 106.92 0.7 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 84.4 Cg_exo -46.3 166.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.618 2.212 . . . . 0.0 112.64 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.3 m -98.38 29.96 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 20.7 p90 -137.01 146.96 56.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.13 147.93 43.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.338 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.72 -159.0 53.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -128.98 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.534 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.845 0.355 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.82 154.13 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -133.01 33.64 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.0 m 60.65 176.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.512 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -138.76 105.7 5.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.56 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 p -89.26 160.54 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.08 -176.82 23.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.462 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.35 -35.64 6.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.572 2.182 . . . . 0.0 112.845 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 45.1 t -97.83 41.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 1.5 m -145.57 146.11 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -89.51 49.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 73.18 6.26 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.727 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t -173.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.716 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -123.7 139.43 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 111.18 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.833 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.36 126.6 13.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.999 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mtpt -57.35 166.4 1.64 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 36.7 Cg_exo -60.38 116.81 3.58 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.553 2.169 . . . . 0.0 112.336 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' N ' ' A' ' 34' ' ' GLY . . . -53.66 121.09 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 131.05 -4.57 5.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.777 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -116.54 151.38 36.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 110.491 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.68 127.49 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.003 0.43 . . . . 0.0 111.111 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -110.91 28.74 8.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.01 -74.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.629 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' H ' ' HA ' ' A' ' 29' ' ' SER . 45.9 tttm 47.89 33.37 3.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.465 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 66.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.515 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 77.33 -56.32 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.011 0.434 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 8.9 p -133.71 -44.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.84 85.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.534 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.525 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 16.0 p -114.77 127.3 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.1 m-70 -136.39 129.15 30.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.3 m-85 -69.98 159.13 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.94 142.42 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 15.47 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' N ' ' HB2' ' A' ' 18' ' ' ALA . . . 42.91 36.21 2.5 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.938 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.51 -49.94 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 111.271 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.98 166.47 24.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 5' ' ' THR . 3.3 m -77.21 -25.97 52.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.47 102.06 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.5 m -60.72 147.62 83.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.657 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.76 169.52 7.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.389 2.059 . . . . 0.0 111.949 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.89 19.43 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.323 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -143.81 140.85 17.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.76 142.48 28.71 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.503 2.135 . . . . 0.0 112.333 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.55 56.86 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -99.96 -33.27 10.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 36.4 mtt -100.91 147.0 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -86.19 79.61 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m -156.95 169.22 25.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -113.94 150.83 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.694 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -139.54 127.35 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.43 10.41 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.693 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.75 -43.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.167 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.77 -61.24 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.637 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.0 p -59.01 118.35 5.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -52.64 -70.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.342 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -142.69 7.99 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -174.81 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 139.04 54.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.266 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.79 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.74 128.94 21.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.6 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -47.48 153.57 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.75 131.53 38.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.386 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 161.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.4 26.3 59.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.235 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.9 m -126.91 139.9 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.456 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.59 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.02 117.84 5.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.761 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -110.56 45.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -176.37 -73.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' H ' ' HA ' ' A' ' 29' ' ' SER . 8.4 tttp 58.43 49.92 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.05 0.452 . . . . 0.0 110.162 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 25' ' ' THR . 77.1 m -69.69 63.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.609 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 t 72.47 -55.82 0.66 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.33 -37.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.516 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -44.77 -68.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.417 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 2.3 p 52.43 111.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.734 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -128.47 125.41 38.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.3 m-85 -77.09 152.11 35.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.53 175.45 6.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 p -127.18 18.64 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.802 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.72 37.25 14.08 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -120.38 -40.61 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 111.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 15' ' ' LEU . 8.1 m -148.16 159.12 44.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 39.4 t -68.56 -23.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.577 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -71.04 92.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.3 t -52.45 132.93 44.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 73.2 Cg_exo -50.96 162.32 1.13 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.494 2.13 . . . . 0.0 112.471 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -98.13 26.95 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 29.4 p90 -137.29 146.29 53.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.804 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 149.43 45.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.464 2.109 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.47 135.26 51.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 60.64 93.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.494 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.34 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -101.88 132.57 47.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.41 -178.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.4 m -74.68 163.75 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 57.0 m -145.98 58.46 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.19 130.43 12.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.283 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 -143.51 6.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 7.6 Cg_exo -72.23 -44.74 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.818 2.345 . . . . 0.0 112.421 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -96.77 27.49 3.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.233 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.16 115.15 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.853 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -136.23 7.95 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.672 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.2 11.02 0.61 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.33 10.56 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.536 0.208 . . . . 0.0 111.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -151.31 51.97 0.84 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.264 0.554 . . . . 0.0 110.947 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 35' ' ' ARG . 2.2 mt 56.0 129.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.787 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.73 147.11 98.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.306 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.84 122.83 12.5 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.523 2.149 . . . . 0.0 112.185 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.89 163.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.349 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.61 19.75 58.46 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.262 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.46 136.59 54.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 110.607 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -60.85 129.5 41.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.924 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 28.89 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.26 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.396 179.729 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.23 30.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.794 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.27 169.2 15.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -13.54 62.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -101.48 -31.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.404 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -153.35 -174.24 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 111.54 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 81.0 p -171.77 121.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 21' ' ' THR . 1.2 m-70 -130.53 -165.72 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 21' ' ' THR . 12.9 m-85 -138.74 155.79 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.23 156.42 16.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 p -111.5 16.0 20.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.73 27.5 4.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.837 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' C ' HD13 ' A' ' 15' ' ' LEU . 8.3 ttt180 -113.44 -36.56 4.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.64 ' HA ' HD22 ' A' ' 15' ' ' LEU . 25.6 m -146.06 171.25 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.653 ' SG ' HD23 ' A' ' 15' ' ' LEU . 51.2 m -94.66 11.06 32.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -101.26 96.16 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.812 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 42.6 t -57.57 134.65 82.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.71 156.67 26.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.567 2.178 . . . . 0.0 112.378 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -96.56 22.11 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.216 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -140.82 143.1 30.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.32 149.24 44.87 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.506 2.137 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.85 -174.48 45.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.35 31.38 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.49 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.821 0.344 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttt 60.65 35.11 19.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -138.66 125.88 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.505 ' O ' HG23 ' A' ' 6' ' ' THR . 6.4 m 62.73 131.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.065 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -61.77 84.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 4' ' ' CYS . 68.2 p -85.34 125.76 33.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.14 179.54 41.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.91 4.48 6.08 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.725 2.283 . . . . 0.0 113.274 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -124.07 19.17 9.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.579 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.1 m -132.86 135.39 45.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -53.81 -79.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 57.0 mt-30 -140.6 6.63 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.769 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 48.3 t -179.67 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' NZ ' HD12 ' A' ' 15' ' ' LEU . 6.1 tmtm? -113.87 158.31 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.646 HD22 ' C ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -58.8 127.85 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.654 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.38 142.31 86.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.537 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.7 123.37 13.22 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.566 2.177 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.38 161.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.31 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.17 18.44 67.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.363 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -125.32 128.26 47.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.725 HG21 ' HD3' ' A' ' 24' ' ' LYS . 12.7 t -45.53 115.87 1.04 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 13.1 p -84.52 -40.16 17.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.453 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.52 -73.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.644 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.725 ' HD3' HG21 ' A' ' 21' ' ' THR . 0.4 OUTLIER 56.02 28.04 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.608 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.786 HG23 ' H ' ' A' ' 28' ' ' SER . 3.1 t -56.55 173.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -82.21 56.07 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.22 -37.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.786 ' H ' HG23 ' A' ' 25' ' ' THR . 72.0 m -128.28 -176.51 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -165.93 128.85 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 40' ' ' PRO . 7.6 m80 -137.66 152.97 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -106.62 131.18 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.103 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.65 148.54 46.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.625 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -104.13 16.77 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.02 51.16 8.66 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.808 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.646 ' C ' HD22 ' A' ' 15' ' ' LEU . 5.6 ttt-85 -147.02 -43.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 111.459 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.584 ' N ' HD22 ' A' ' 15' ' ' LEU . 33.2 t -131.32 157.21 43.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.194 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -77.58 -7.14 55.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.226 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -80.8 155.16 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.83 133.89 22.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.542 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 52.7 Cg_exo -54.89 178.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.392 2.061 . . . . 0.0 112.184 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -109.87 31.04 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -165.33 147.67 6.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.23 150.92 54.1 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.533 2.155 . . . . 0.0 112.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.4 -177.03 1.57 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 m120 60.29 79.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.5 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 32.1 mtt -103.63 -32.19 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -129.34 104.51 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 37.0 m -101.94 -24.3 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m 64.25 64.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.27 131.99 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.28 177.21 48.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.23 -28.74 64.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.479 2.119 . . . . 0.0 112.243 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -80.73 -32.7 35.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.933 0.397 . . . . 0.0 110.5 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 140.8 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.69 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.08 -70.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.79 -23.07 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t 178.91 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -113.13 141.76 46.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.823 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.65 129.99 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.069 0.462 . . . . 0.0 111.25 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.1 162.16 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.24 128.27 23.42 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.484 2.123 . . . . 0.0 112.286 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 149.15 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.03 24.35 76.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.341 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -121.74 123.1 41.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.749 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.836 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.62 115.59 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.1 p -101.56 -42.71 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.024 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.62 -69.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tttt 57.6 30.14 18.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.61 HG22 HG12 ' A' ' 27' ' ' VAL . 5.3 m -59.43 135.41 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.782 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -51.14 -26.53 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.159 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 HG22 ' A' ' 25' ' ' THR . 12.0 p -97.62 -22.05 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.395 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 2.9 t -159.09 107.92 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 111.282 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m -98.67 125.64 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -122.7 -170.55 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.836 ' CE1' HG23 ' A' ' 21' ' ' THR . 9.8 m-85 -148.23 154.16 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.774 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -91.64 147.55 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.66 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -107.42 22.98 15.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.59 26.6 7.71 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.778 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -115.09 -62.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.978 0.418 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.58 170.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 2.5 m -100.48 15.91 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -120.67 104.42 9.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 m -50.89 141.11 19.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.11 177.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.466 2.111 . . . . 0.0 112.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -114.16 34.73 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -148.83 147.77 25.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.35 108.77 2.44 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.49 2.127 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.76 129.97 9.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -165.8 -43.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.53 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.9 mtm -98.42 35.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.0 149.09 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.2 m -95.93 148.34 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.827 HG21 HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.53 124.92 21.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.649 179.745 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.35 153.11 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.993 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -156.67 26.82 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.423 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.29 -24.7 12.13 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.85 2.366 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.1 -24.04 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -97.03 121.41 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -152.07 22.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 4.0 mt-30 -153.23 18.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.1 t 76.05 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -163.38 107.16 1.03 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.195 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.827 HD23 HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -37.93 123.67 1.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -44.96 166.4 0.13 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.323 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -69.91 148.12 63.37 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.821 2.347 . . . . 0.0 112.434 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 160.85 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.04 58.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.497 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -119.21 132.96 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.62 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.91 128.36 32.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.8 -39.68 4.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -94.55 -72.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 53.01 34.1 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 28' ' ' SER . 14.5 t -55.86 164.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -21.01 66.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.422 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 27' ' ' VAL . 13.6 t -121.46 27.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.648 0.261 . . . . 0.0 111.532 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.567 ' N ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER 178.89 -171.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -177.73 112.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -125.84 134.22 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.62 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.7 m-85 -81.76 170.72 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 157.88 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 p -116.59 20.34 14.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 15' ' ' LEU . . . 47.59 37.07 13.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.749 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' C ' HD13 ' A' ' 15' ' ' LEU . 30.3 mtt180 -117.18 -37.69 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.569 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 m -164.24 172.89 13.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.442 ' SG ' HG22 ' A' ' 5' ' ' THR . 17.5 m -71.17 -32.36 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.06 106.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.4 m -79.09 147.69 70.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 177.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.548 2.165 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -114.4 28.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.98 148.18 14.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.9 138.78 32.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.271 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.72 168.52 43.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -136.16 79.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.536 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -61.33 -74.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.03 -73.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.35 8.44 6.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER 59.73 172.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.002 179.787 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER -176.42 130.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.627 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.89 -148.53 17.68 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.836 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -86.83 -33.3 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.989 2.459 . . . . 0.0 113.6 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -94.95 31.83 1.79 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.167 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.09 120.54 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.395 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -46.58 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 10.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -132.71 133.88 44.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.783 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.35 137.46 4.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.86 147.52 23.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.629 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.04 126.62 22.09 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.661 2.241 . . . . 0.0 112.258 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -44.66 158.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.394 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.44 17.51 70.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -126.72 128.96 47.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.648 0.261 . . . . 0.0 110.565 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.713 HG21 ' HD3' ' A' ' 24' ' ' LYS . 13.3 t -50.93 134.93 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.503 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 28.0 p -105.91 -41.69 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.53 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -97.23 -53.2 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 111.289 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.713 ' HD3' HG21 ' A' ' 21' ' ' THR . 15.8 ttpt 49.58 27.81 2.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 26' ' ' SER . 33.1 m -63.95 164.55 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.9 m -83.84 51.57 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 26' ' ' SER . 8.1 p 172.23 -35.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -79.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.079 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.463 ' HA ' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER 59.89 116.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 9.4 m-70 -139.3 154.02 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.076 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.4 m-85 -102.42 125.2 49.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.57 144.34 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.405 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 6.6 p -101.57 18.27 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.25 37.7 8.27 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.828 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.81 -42.96 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -143.43 171.92 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 46.4 t -85.52 -0.11 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.473 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -86.79 141.27 28.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.5 m -107.27 136.54 19.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.42 178.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.156 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -107.68 28.93 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -162.94 144.1 7.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.725 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.39 149.56 39.96 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.495 2.13 . . . . 0.0 112.4 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.1 148.43 19.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -131.4 120.05 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.845 0.355 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.82 -67.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.52 169.5 16.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -30.47 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.582 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 63.46 122.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -124.93 166.11 16.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.024 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.12 -161.9 28.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.92 -24.18 46.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.441 2.094 . . . . 0.0 112.175 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 38.0 t -112.57 27.75 9.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 6' ' ' THR . 79.8 m -151.72 104.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -141.2 20.8 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -148.59 15.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.402 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 68.63 20.05 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.48 103.93 2.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.226 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.807 HD21 ' C ' ' A' ' 36' ' ' SER . 1.2 mt -36.47 118.64 0.56 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.408 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -47.8 150.1 2.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.59 133.93 41.98 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.555 2.17 . . . . 0.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.62 165.01 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.09 18.35 47.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.41 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.1 m -124.66 130.17 51.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.772 0.32 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.604 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.6 t -56.73 127.18 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.3 p -105.28 -28.68 10.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.7 OUTLIER -95.94 -69.17 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp 59.36 27.95 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.018 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.66 HG22 HG12 ' A' ' 27' ' ' VAL . 6.8 m -59.8 133.73 56.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.709 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -50.14 -26.69 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 25' ' ' THR . 11.8 p -97.27 -22.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.4 m -158.75 108.64 2.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.613 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.7 p -97.92 133.92 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -131.19 170.88 13.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.604 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -120.61 133.2 55.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -85.7 164.81 17.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -119.63 19.57 12.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 47.1 18.52 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.851 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 mtt85 -132.68 -46.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.807 ' C ' HD21 ' A' ' 15' ' ' LEU . 13.4 p -132.87 158.99 41.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 5' ' ' THR . 90.3 m -68.52 -29.91 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.591 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.43 147.64 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.98 141.95 25.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.86 179.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.522 2.148 . . . . 0.0 112.24 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.24 -26.84 13.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -92.06 147.43 34.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.78 154.79 58.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.589 2.193 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.07 94.09 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.31 35.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.525 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.2 mtp -136.81 35.42 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 164.47 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.6 p -141.75 154.66 45.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 37' ' ' CYS . 1.5 m -110.42 76.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.468 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.46 96.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.481 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.47 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.59 -18.54 42.86 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.671 2.247 . . . . 0.0 112.993 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -115.36 22.47 13.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.047 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -129.32 -1.0 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -144.57 9.93 1.4 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 44.5 t 67.45 19.33 10.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.088 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 15' ' ' LEU . 10.4 ttmm -147.19 47.42 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.284 0.564 . . . . 0.0 110.835 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.787 HD23 ' SG ' ' A' ' 37' ' ' CYS . 12.2 mt 53.51 136.56 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.105 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -74.34 139.8 75.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.67 121.97 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.478 2.118 . . . . 0.0 112.282 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.92 165.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.67 20.98 57.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.058 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.4 m -120.94 126.47 50.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.517 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.75 113.2 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.311 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 p -97.46 29.32 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.438 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -177.12 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.369 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' CA ' ' HA ' ' A' ' 29' ' ' SER . 16.4 ptpt 47.88 29.31 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.062 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.668 HG22 ' H ' ' A' ' 27' ' ' VAL . 18.7 m -59.97 126.72 28.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.434 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -50.01 -25.49 3.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.764 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.668 ' H ' HG22 ' A' ' 25' ' ' THR . 14.5 p -107.98 20.63 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 111.348 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.446 ' HA ' ' CA ' ' A' ' 24' ' ' LYS . 23.1 t 66.22 114.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' O ' HG22 ' A' ' 21' ' ' THR . 6.2 m-70 -129.54 -169.26 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.517 ' CE2' HG23 ' A' ' 21' ' ' THR . 17.1 m-85 -148.31 145.8 28.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.99 147.37 27.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.573 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 p -103.81 16.24 26.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.45 27.07 3.96 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.812 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.622 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -115.85 -35.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.593 ' C ' HD22 ' A' ' 15' ' ' LEU . 24.3 p -140.12 172.69 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.682 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' HD23 ' A' ' 15' ' ' LEU . 3.9 m -100.4 16.68 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.839 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.67 99.9 8.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 25.3 t -53.15 123.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 19.8 Cg_endo -60.58 168.47 6.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.59 2.193 . . . . 0.0 112.529 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m -99.96 27.71 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 22.8 p90 -135.22 144.88 51.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.829 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.65 149.02 42.86 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.513 2.142 . . . . 0.0 112.329 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.66 -30.77 75.7 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.57 83.26 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.52 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 ttm -99.18 -36.04 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.37 103.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.9 m -74.24 129.02 37.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 3.0 m -69.26 70.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.546 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.72 128.28 15.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.363 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 159.91 23.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.15 -28.29 60.36 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.229 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 43.3 t -98.57 33.66 2.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.223 0.535 . . . . 0.0 110.538 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -130.88 142.88 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 20.9 ttt180 -97.23 42.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 1.7 mt-30 85.74 -25.89 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.411 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 35.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.261 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -159.3 115.05 2.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.817 0.342 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.868 HD11 ' N ' ' A' ' 36' ' ' SER . 2.3 tt -47.06 105.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -48.83 142.66 8.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.35 134.3 41.33 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.47 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 165.99 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.22 14.31 59.25 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.51 122.85 42.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.811 0.339 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.904 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.87 121.71 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 -179.736 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -114.48 43.16 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -175.02 -72.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 10.2 pttm 47.26 33.06 2.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.877 HG23 ' H ' ' A' ' 28' ' ' SER . 1.5 t -45.6 168.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.179 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 7.9 t -79.43 55.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.4 p 169.32 -32.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.877 ' H ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -124.2 -169.44 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.929 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -175.11 120.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.9 m-70 -128.38 165.1 21.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.275 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.904 ' CE2' HG23 ' A' ' 21' ' ' THR . 9.2 m-85 -123.65 163.38 21.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.275 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.27 145.69 28.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -102.24 13.32 34.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.29 27.77 2.91 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.964 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.59 ' C ' HD11 ' A' ' 15' ' ' LEU . 5.5 ttt180 -138.05 10.46 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.868 ' N ' HD11 ' A' ' 15' ' ' LEU . 12.2 t 179.24 158.54 0.61 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.746 0.308 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 3.0 m -90.87 7.32 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -102.19 95.03 6.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 9' ' ' CYS . 5.4 t -46.52 123.02 7.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.7 171.26 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.562 2.174 . . . . 0.0 112.509 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.448 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -102.49 24.38 10.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.13 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -135.83 144.81 50.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.0 149.21 41.42 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.519 2.146 . . . . 0.0 112.335 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.67 93.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -168.3 -43.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.789 0.328 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.1 ttt 60.63 160.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -122.43 153.71 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 m -104.54 140.72 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.787 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -60.16 101.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.65 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 p -103.32 136.96 42.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.79 -175.09 25.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -25.67 16.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.6 2.2 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -102.78 53.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -176.13 126.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.625 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -128.7 -14.56 4.57 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -176.3 34.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.657 0.265 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -157.93 117.29 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.771 0.32 . . . . 0.0 110.673 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -46.21 116.24 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -47.15 137.17 8.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.025 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.72 142.59 70.92 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.471 2.114 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 167.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.23 22.18 49.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -129.58 134.12 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.555 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.39 118.41 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -98.58 -33.02 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -105.42 -71.59 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 60.79 27.66 17.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 26' ' ' SER . 86.4 m -58.44 162.4 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 25' ' ' THR . 89.0 p -47.02 -44.76 20.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.427 . . . . 0.0 111.038 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.93 -22.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 88.57 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 111.582 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 t -103.79 105.57 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.957 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.1 m-70 -129.14 146.02 51.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.281 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.6 m-85 -92.9 169.94 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -98.58 151.34 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -108.72 14.12 24.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.17 3.96 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.763 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.07 -33.46 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.63 0.252 . . . . 0.0 111.541 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.785 ' N ' HD21 ' A' ' 15' ' ' LEU . 11.2 p -161.2 172.18 17.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' HG22 ' A' ' 5' ' ' THR . 41.2 m -78.88 -8.06 58.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.395 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.03 101.7 11.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.809 0.338 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.69 149.45 95.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.1 178.12 4.46 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.25 -29.39 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -94.43 148.32 34.78 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.45 176.53 9.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.584 2.189 . . . . 0.0 112.355 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.79 76.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -157.44 -55.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.507 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.815 0.34 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -106.09 140.84 38.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -60.57 175.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m 60.34 -178.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -130.93 112.57 13.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.07 129.74 56.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.14 -154.15 25.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.637 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.16 -46.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.835 2.356 . . . . 0.0 113.146 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.78 49.26 1.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.397 . . . . 0.0 111.286 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 30.5 p -177.92 138.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.012 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 164.55 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 67.63 -73.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.49 35.16 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.18 143.48 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.81 137.87 9.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' HD22 ' A' ' 15' ' ' LEU . 2.0 mtmm -68.78 143.94 95.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 145.65 97.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.28 169.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.93 19.32 50.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -127.33 128.19 45.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.711 0.291 . . . . 0.0 110.279 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.522 HG21 ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.78 123.03 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 0.0 111.099 -179.794 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.03 -28.86 13.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.98 -70.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.501 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER 53.76 35.63 21.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.647 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.706 HG23 ' H ' ' A' ' 28' ' ' SER . 1.8 t -56.17 174.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -52.08 -40.54 61.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.265 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 28' ' ' SER . 12.1 p -108.88 -48.59 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.706 ' H ' HG23 ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.1 -177.04 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.37 . . . . 0.0 111.176 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 p -177.06 108.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.3 m-70 -124.31 141.64 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.02 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -95.88 159.87 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.83 144.52 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.8 p -100.25 14.84 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.34 54.07 8.94 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -153.93 -50.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.0 173.87 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.983 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB2' HG22 ' A' ' 5' ' ' THR . 34.6 t -91.56 8.13 38.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.11 117.54 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.808 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.53 130.22 54.37 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.41 -179.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.34 2.027 . . . . 0.0 111.929 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.01 36.98 2.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -168.42 147.25 3.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.802 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.87 152.17 51.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.527 2.152 . . . . 0.0 112.365 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.03 -172.98 1.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 59.68 74.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.48 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.794 0.331 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.8 ttm -144.62 144.78 31.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -132.24 145.74 51.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 m -105.41 150.21 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -114.5 74.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.86 110.4 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.497 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 -170.75 22.82 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.15 -35.44 11.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.7 2.266 . . . . 0.0 112.127 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 22' ' ' CYS . 35.2 t -82.29 -30.79 30.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 103.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 12.5 ttm180 -70.1 -11.52 60.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.442 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 173.95 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.1 t -178.07 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.813 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.94 118.2 36.12 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.812 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.61 114.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' HB2' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -43.55 149.59 0.59 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.046 -179.355 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.58 140.21 36.76 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.827 2.351 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -54.6 171.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.03 18.84 42.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.398 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -120.56 114.16 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.731 0.3 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.1 t -47.57 108.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 9' ' ' CYS . 31.7 p -94.05 42.44 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.329 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' H ' ' HA ' ' A' ' 29' ' ' SER . 3.1 tptm 54.21 34.36 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.689 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.77 65.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.185 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.48 -55.96 0.47 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 28' ' ' SER . 9.5 p -133.59 -44.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.207 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -68.98 90.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 54.3 p -119.0 131.36 56.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.026 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.3 m-70 -135.98 111.98 9.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.947 0.403 . . . . 0.0 111.329 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.5 m-30 -59.77 121.02 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 158.97 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.477 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 15.9 p -104.9 16.22 26.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.82 27.19 4.61 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.851 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -119.7 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -135.06 153.43 52.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -75.62 -8.3 56.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.36 172.42 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.337 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.4 m -135.72 128.87 18.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.324 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 39' ' ' CYS . 37.2 Cg_exo -56.97 178.1 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.444 2.096 . . . . 0.0 112.015 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 p -104.01 19.23 20.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.7 144.07 25.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.574 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -75.48 165.18 31.11 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.519 2.146 . . . . 0.0 112.499 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.22 -176.15 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 60.09 82.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.527 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.813 0.34 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.8 mtp -131.68 79.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -105.5 -58.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.2 148.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.816 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -66.27 77.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -95.05 147.91 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 176.48 15.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.46 -7.23 19.35 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.782 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -123.06 54.1 1.26 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.828 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -179.3 120.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.408 . . . . 0.0 111.393 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.329 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -53.05 95.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.225 0.536 . . . . 0.0 111.289 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t 43.37 58.11 3.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.07 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 119.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 110.789 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.721 HD21 ' C ' ' A' ' 35' ' ' ARG . 1.3 tp -47.04 120.04 2.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.812 0.339 . . . . 0.0 110.251 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.14 135.03 49.9 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.21 127.34 21.8 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.454 2.103 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.89 152.11 2.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.46 78.97 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -130.27 118.53 21.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.3 t -45.78 94.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.7 p -65.19 -39.66 93.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.96 -69.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.729 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.14 28.97 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.291 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.6 m -53.18 152.09 4.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.947 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -45.87 -30.23 1.64 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.3 p -139.89 27.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.17 90.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.474 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.402 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 p -100.63 123.75 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -130.55 122.74 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 111.467 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -73.5 133.31 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.338 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.6 t -68.73 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.8 p -104.44 14.25 30.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 44.53 29.7 1.91 Allowed Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.803 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.721 ' C ' HD21 ' A' ' 15' ' ' LEU . 31.6 mtp180 -119.64 -28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.495 0.188 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.453 ' HA ' HD11 ' A' ' 15' ' ' LEU . 42.6 t -162.95 175.04 11.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.947 0.403 . . . . 0.0 111.377 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.816 ' SG ' HG22 ' A' ' 5' ' ' THR . 18.8 m -80.99 -5.52 57.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.419 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.18 120.89 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.787 0.327 . . . . 0.0 110.959 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 m -84.93 142.22 38.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.07 172.35 14.08 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.546 2.164 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.17 27.42 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -153.1 141.82 14.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 38.1 Cg_endo -66.55 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.399 2.066 . . . . 0.0 112.487 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.91 -116.38 1.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.19 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.514 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -107.86 106.22 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.58 44.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.6 m -86.77 178.39 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -164.63 69.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.503 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -42.21 108.38 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.632 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 -155.33 7.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.37 -19.83 12.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.665 2.243 . . . . 0.0 112.753 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 47.3 t -132.77 55.66 1.88 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.811 0.339 . . . . 0.0 111.365 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -122.91 97.18 5.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.834 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -60.4 85.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 69.74 -65.24 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.82 20.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.129 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -155.71 124.82 6.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.66 0.267 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.792 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.14 132.14 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.031 0.443 . . . . 0.0 111.27 -179.677 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -55.73 168.13 0.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.899 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.06 141.82 65.48 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.56 146.32 36.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.85 79.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.294 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.6 m -118.8 124.46 47.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.21 123.95 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.733 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.06 -27.26 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.41 -74.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 111.49 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 14.5 tptt 55.12 35.09 24.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.792 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 28' ' ' SER . 15.2 t -54.7 177.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -60.75 -22.99 64.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.248 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.592 ' H ' HG23 ' A' ' 25' ' ' THR . 23.1 t -154.26 47.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.899 0.38 . . . . 0.0 111.562 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.895 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.2 87.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 1.4 m -95.69 122.55 38.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -116.56 169.73 9.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.92 153.47 44.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 159.47 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.406 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.0 p -114.94 22.23 13.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.25 26.02 8.85 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.781 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -112.89 -68.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -106.42 171.74 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 9' ' ' CYS . 24.7 m -91.06 8.28 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.34 149.83 24.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.665 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.3 m -93.03 119.2 67.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.014 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.91 163.68 24.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.392 2.061 . . . . 0.0 111.87 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -80.83 57.57 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.524 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -123.02 104.36 35.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.58 -20.88 30.42 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.447 2.098 . . . . 0.0 112.188 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.04 -80.46 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 61.71 94.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.539 -179.996 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 75.4 mtm -104.98 176.83 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.25 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 m -88.71 140.39 29.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -59.4 125.85 25.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.543 179.63 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -134.4 134.76 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.89 -153.47 25.38 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.69 -38.96 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.608 2.205 . . . . 0.0 112.831 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.582 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 42.1 t -108.82 51.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' SG ' HG22 ' A' ' 5' ' ' THR . 69.8 m -129.47 125.52 36.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.986 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.82 68.01 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 70.22 -65.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -146.06 27.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.079 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.23 121.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -47.57 117.95 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.877 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -48.41 145.11 5.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.41 147.59 87.32 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.585 2.19 . . . . 0.0 112.55 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.28 165.68 9.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.1 27.03 50.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.36 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.8 m -130.27 127.47 39.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.291 . . . . 0.0 110.453 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.435 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -53.0 109.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.986 -179.812 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -88.45 -42.3 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.192 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.72 -60.51 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.428 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.55 30.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.323 -179.705 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 HG12 ' A' ' 27' ' ' VAL . 6.2 m -59.8 141.8 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -26.57 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 25' ' ' THR . 12.7 p -96.95 -24.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 126.64 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 111.32 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 72.5 m -113.34 118.23 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -122.91 150.02 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.3 m-85 -98.44 157.22 16.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.398 179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.42 171.62 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 111.222 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -125.06 19.33 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.61 40.97 41.36 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.768 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -122.56 -34.55 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 111.312 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.843 ' HA ' HD11 ' A' ' 15' ' ' LEU . 47.0 t -166.15 171.56 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.734 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -68.28 -31.95 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.783 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.99 115.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.357 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.89 144.58 33.19 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.61 177.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.465 2.11 . . . . 0.0 112.132 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -113.52 31.38 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -158.29 148.18 15.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.13 138.33 30.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.02 138.05 29.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.2 -49.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 tpt -160.88 110.9 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -134.58 141.7 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.7 m -97.53 166.32 11.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.77 HG21 HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -109.69 111.72 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.624 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -94.29 147.18 23.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 178.05 17.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.27 -30.35 10.48 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.546 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -90.16 46.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.17 -179.83 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 134.02 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -57.85 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -143.48 9.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.807 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -177.8 -33.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.539 0.209 . . . . 0.0 111.539 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -118.12 155.66 30.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.77 HD11 HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -56.02 134.18 52.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 179.853 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -54.5 143.82 45.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.641 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.84 117.56 2.84 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.159 . . . . 0.0 112.518 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.5 110.87 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.316 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 23.24 5.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.231 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.6 m -130.28 135.98 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.675 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.36 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.51 25.39 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.113 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.469 ' CZ3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -154.95 -73.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 111.412 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.567 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.8 tttt 46.95 47.54 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.631 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -75.92 61.45 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.56 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 3.0 m 55.46 18.59 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.135 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 28' ' ' SER . 3.8 p 165.88 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.012 0.434 . . . . 0.0 110.612 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.474 ' N ' HG13 ' A' ' 27' ' ' VAL . 59.8 m -82.41 85.61 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.638 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.567 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 18.9 p -112.48 137.55 50.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -143.98 124.99 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' CE1' HG23 ' A' ' 21' ' ' THR . 3.3 m-85 -72.0 130.26 40.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -71.33 156.83 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 p -108.77 13.9 24.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.24 27.92 2.92 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.902 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -116.26 -31.76 5.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 111.222 -179.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 p -153.18 166.37 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.516 ' SG ' HG22 ' A' ' 5' ' ' THR . 2.5 m -79.84 -6.24 56.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.369 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -82.1 114.52 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.66 147.13 54.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.83 144.23 56.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.401 2.068 . . . . 0.0 112.199 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 p -78.93 -29.85 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -100.05 140.76 21.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.48 157.87 55.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.419 2.079 . . . . 0.0 112.405 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.38 -61.64 7.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -60.97 88.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.52 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.803 0.335 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 tpp -105.95 31.72 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -103.25 135.09 45.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.7 m -67.14 121.6 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 6' ' ' THR . 25.4 m -57.13 163.46 2.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 5' ' ' THR . 2.7 p -141.11 135.56 31.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.0 28.5 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 32.8 Cg_endo -64.2 -14.49 44.06 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.687 2.258 . . . . 0.0 112.521 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 48.5 t -117.35 47.18 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 142.02 47.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -90.23 44.48 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 71.36 4.71 5.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.586 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.24 -28.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.574 0.226 . . . . 0.0 111.376 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.71 135.72 53.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.93 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -54.54 112.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.646 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.84 146.11 4.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.985 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.09 144.25 92.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.657 2.238 . . . . 0.0 112.654 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.11 171.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.62 18.24 37.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.47 -179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -118.4 129.49 55.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -54.34 128.55 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.724 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 p -108.67 26.21 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.509 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -164.66 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 179.672 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 6.7 ttpt 49.53 28.07 2.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.474 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.82 169.11 12.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.005 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -69.86 -22.39 63.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -94.01 -31.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 1.1 m -151.77 177.79 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.134 0.492 . . . . 0.0 111.614 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 14.7 m -165.47 121.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.346 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 m-70 -131.59 -177.73 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 111.25 -179.279 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -123.87 167.16 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.31 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.58 169.49 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 111.142 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -122.3 15.31 10.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.29 26.38 4.83 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.886 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 -23.65 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.596 0.236 . . . . 0.0 111.472 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.93 ' HA ' HD11 ' A' ' 15' ' ' LEU . 2.1 m -160.4 152.18 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 110.818 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 29.3 m -82.67 -1.17 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.216 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.24 75.56 7.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.39 . . . . 0.0 110.748 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 46.0 t -47.51 118.19 5.63 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.18 159.43 2.76 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.478 2.118 . . . . 0.0 112.309 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 t -97.66 27.78 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -139.9 138.08 19.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.6 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.1 154.18 52.19 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.46 -34.54 81.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.15 -31.38 71.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.522 179.973 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mtp -60.48 148.68 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -170.87 35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.8 m 60.67 -177.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -135.45 145.9 47.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -132.81 122.68 24.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.61 -155.31 25.27 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.68 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.55 -46.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.784 2.323 . . . . 0.0 113.046 -179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -64.63 -49.45 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 111.271 -179.662 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -80.66 136.18 36.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.83 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -146.32 9.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -38.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -126.81 144.37 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.099 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -52.8 128.84 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.662 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -59.96 156.0 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.48 131.58 38.98 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.487 2.125 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -46.32 161.0 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.46 9.19 73.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.409 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.8 m -113.41 119.48 37.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 3.6 t -45.18 115.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.313 -179.623 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 8.1 p -92.53 33.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.269 -179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.07 -71.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.957 0.408 . . . . 0.0 111.515 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.66 28.29 11.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.64 HG22 HG12 ' A' ' 27' ' ' VAL . 4.7 m -52.87 152.36 3.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 9.1 t -77.35 55.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.64 HG12 HG22 ' A' ' 25' ' ' THR . 6.7 p 166.78 -30.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.18 -74.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.18 117.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.253 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 21' ' ' THR . 9.4 m-70 -130.09 -164.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -178.853 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.744 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 7.2 m-85 -150.37 136.78 18.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.923 0.392 . . . . 0.0 111.388 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -79.47 145.37 33.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.415 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 3.6 p -102.02 16.49 25.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.72 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 47.27 48.35 20.83 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.674 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.772 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -137.81 -43.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.417 -179.732 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 85.5 p -140.89 162.3 35.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.232 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 43.8 t -77.76 -9.43 59.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -81.74 101.97 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 0.0 111.169 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 50.0 t -67.34 122.23 82.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 39' ' ' CYS . 11.2 Cg_endo -54.68 163.72 3.69 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.478 2.118 . . . . 0.0 112.33 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -97.42 29.11 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -149.66 143.81 17.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.89 144.18 27.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.553 2.169 . . . . 0.0 112.388 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.46 -33.69 77.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -94.97 79.31 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.544 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.815 0.34 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.03 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.58 81.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.24 -25.41 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 61.33 64.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 p -57.55 112.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.83 175.81 35.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 35.6 Cg_exo -59.96 -43.02 39.62 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.554 2.169 . . . . 0.0 112.241 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -33.55 75.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.933 0.396 . . . . 0.0 110.515 179.62 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 128.04 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.915 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -10.57 55.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 168.52 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.459 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -170.55 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -108.37 131.23 54.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -46.92 117.86 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -47.05 147.1 2.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.22 131.95 44.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.491 2.127 . . . . 0.0 112.272 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -47.86 164.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.52 13.58 60.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.475 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -121.68 124.34 44.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.688 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 12.2 t -48.0 123.77 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.568 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -105.86 31.58 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER -174.0 -71.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 111.508 -179.711 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.613 -179.454 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.68 HG22 HG12 ' A' ' 27' ' ' VAL . 10.5 m -57.92 132.63 53.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.725 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -47.88 -27.8 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.68 HG12 HG22 ' A' ' 25' ' ' THR . 11.6 p -96.5 -22.14 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.451 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -158.86 110.17 2.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.876 0.369 . . . . 0.0 111.795 -179.396 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -98.25 133.26 42.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.178 179.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.9 m-70 -133.18 173.17 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.333 -179.204 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.688 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.87 137.82 50.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.241 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.8 t -76.37 144.38 40.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.407 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 17.0 p -101.46 17.47 22.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.74 34.62 5.44 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.934 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.616 ' C ' HD13 ' A' ' 15' ' ' LEU . 14.6 ttt85 -118.4 -40.35 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 t -139.71 172.89 12.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -94.3 10.4 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.71 100.76 9.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 33.7 t -57.53 110.9 2.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.77 176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.521 2.148 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.18 27.59 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -153.54 146.7 17.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.87 -179.93 5.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.416 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.84 -63.01 3.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -77.05 87.31 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.53 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.826 0.346 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.0 tpp -60.64 158.41 12.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.39 168.13 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.46 -2.79 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 62.41 127.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.123 179.729 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 p -132.88 127.16 33.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.36 -151.38 11.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.798 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.35 -43.61 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.928 -179.534 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -72.01 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.559 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 24.4 p -66.5 122.38 17.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -54.09 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -144.03 9.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.937 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.76 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 140.29 51.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.78 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.17 136.89 8.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.792 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -52.52 141.18 34.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.747 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.53 129.63 27.19 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.516 2.144 . . . . 0.0 112.545 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.4 106.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.76 25.13 3.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -126.46 132.83 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.168 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.547 HG21 ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -52.87 116.95 2.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.517 -179.469 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.8 p -97.36 22.84 8.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.42 -72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HG2' HG21 ' A' ' 21' ' ' THR . 2.9 tmtm? 60.89 25.18 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.749 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 27' ' ' VAL . 85.3 m -58.77 142.62 49.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -46.76 -27.86 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.564 ' H ' HG22 ' A' ' 25' ' ' THR . 12.5 p -111.19 -16.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.731 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -145.3 104.85 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.853 0.358 . . . . 0.0 111.892 -179.271 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 4.5 m -107.57 110.51 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.058 178.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -123.36 165.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.642 -178.562 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.6 m-85 -118.97 155.21 31.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 t -90.07 161.72 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 p -116.72 18.32 14.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.14 41.84 11.72 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.761 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -43.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.299 . . . . 0.0 111.3 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -146.11 170.5 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' HG22 ' A' ' 5' ' ' THR . 52.7 t -81.07 -5.38 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.75 104.49 13.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 111.249 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -75.04 123.34 88.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.328 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.89 145.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.649 2.233 . . . . 0.0 112.795 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -96.47 25.57 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -138.11 145.29 47.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.49 139.73 35.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.539 2.159 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -38.6 85.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -98.24 35.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.494 179.998 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.828 0.347 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -39.73 93.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -172.57 128.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m -106.53 -33.08 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 65.54 62.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.634 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -57.85 124.23 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.26 164.63 35.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.8 -28.04 36.86 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.665 2.243 . . . . 0.0 112.5 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.38 -13.86 45.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 110.951 179.487 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -93.95 119.65 33.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.644 179.873 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -59.26 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -117.32 -24.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.936 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.13 34.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -159.22 141.03 13.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.759 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.0 114.54 2.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.96 179.917 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.7 mttp -58.78 140.59 85.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.635 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.8 Cg_exo -60.78 127.06 21.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.368 2.045 . . . . 0.0 112.56 -179.756 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -45.71 118.36 1.78 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.168 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 121.54 3.62 10.19 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.552 -179.603 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 m -113.76 127.11 55.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.766 0.317 . . . . 0.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.3 t -47.75 117.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 6.0 p -99.01 34.38 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -177.11 -71.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.405 . . . . 0.0 111.451 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp 61.3 26.94 16.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.72 -179.567 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.676 HG22 HG12 ' A' ' 27' ' ' VAL . 5.4 m -59.24 132.29 53.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -48.7 -27.79 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 HG22 ' A' ' 25' ' ' THR . 11.8 p -95.46 -22.8 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -159.04 110.14 2.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 111.584 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -98.15 133.97 41.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.344 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.4 m-70 -134.03 170.66 15.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.141 -179.339 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -127.42 139.87 52.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.023 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.38 141.15 43.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 110.438 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.475 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.1 p -103.18 20.05 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.19 28.23 1.94 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.908 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.649 ' C ' HD21 ' A' ' 15' ' ' LEU . 4.5 ttm-85 -106.34 -31.81 8.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.759 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.8 m -155.28 171.36 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.75 ' SG ' HD12 ' A' ' 15' ' ' LEU . 10.3 m -93.31 9.75 34.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -109.87 91.6 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 16.6 t -46.25 132.96 7.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 38.3 Cg_endo -66.57 173.88 7.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.553 2.169 . . . . 0.0 112.385 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -100.14 30.36 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 14.7 p90 -138.35 148.15 58.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.43 147.19 51.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.184 . . . . 0.0 112.321 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.32 -149.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 60.58 35.44 20.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.471 179.994 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.9 mtp -132.74 109.25 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -100.94 32.81 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 m -156.19 -42.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.9 m 72.89 64.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -55.23 118.95 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.25 171.61 39.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.709 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.61 -25.86 61.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.873 2.382 . . . . 0.0 112.692 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -91.03 -25.3 19.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.306 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 110.86 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.629 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -69.36 -11.38 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.477 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 169.96 -27.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.676 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -173.6 -29.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.338 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -111.39 130.52 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 0.0 110.575 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.818 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.45 124.85 3.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 111.174 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -49.4 146.78 6.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.3 126.7 18.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.189 . . . . 0.0 112.529 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -47.8 149.23 1.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.151 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.13 4.69 84.07 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.685 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.2 m -111.5 112.46 24.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -56.36 119.26 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -94.95 -36.37 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.474 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -84.69 -77.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.182 -178.642 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 tptt 59.47 22.96 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.544 -179.045 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.809 HG23 ' H ' ' A' ' 28' ' ' SER . 9.0 t -52.95 163.31 0.51 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -84.26 57.23 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.221 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p 177.54 -32.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.406 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.809 ' H ' HG23 ' A' ' 25' ' ' THR . 4.1 t -155.38 93.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.239 -179.493 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 25.6 p -80.87 158.44 25.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.653 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 38.1 m-70 -147.63 172.22 14.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.968 0.413 . . . . 0.0 111.631 -179.393 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -126.35 133.38 51.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.57 179.863 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 144.14 49.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.742 0.306 . . . . 0.0 110.426 179.826 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -101.19 20.54 15.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 47.08 27.57 3.65 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.849 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.8 mmt85 -130.65 -53.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.03 0.443 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -98.04 155.9 16.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.3 m -95.62 12.37 29.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 12.2 pt-20 -133.25 113.09 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.836 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -45.88 142.13 3.93 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.32 178.07 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.622 2.215 . . . . 0.0 112.445 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -96.19 25.83 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -153.09 144.6 16.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.684 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.79 151.47 46.0 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.349 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.0 170.32 5.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -174.96 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.524 179.987 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.813 0.34 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -132.81 -46.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.57 169.79 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.3 m -105.28 133.46 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 6' ' ' THR . 26.5 m -84.63 167.39 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.372 179.668 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.459 ' N ' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -128.91 120.47 26.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.407 . . . . 0.0 111.051 -179.923 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.94 167.48 37.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.404 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.6 -24.17 60.87 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.625 2.217 . . . . 0.0 112.512 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.85 -27.13 40.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.77 179.734 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 138.51 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -86.99 -33.68 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 173.56 4.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.931 179.849 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' H ' ' H ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 175.19 -34.73 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.696 0.284 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -126.56 145.62 50.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -54.69 127.11 26.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -53.36 163.05 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.4 134.0 32.0 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.516 2.144 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.05 139.96 21.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.89 21.49 59.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.326 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.3 m -125.24 123.59 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.621 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.49 127.66 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.804 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 14.1 p -115.25 -42.97 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -83.46 -71.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.356 -179.491 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttm 55.39 30.11 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.727 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 26' ' ' SER . 85.5 m -50.19 162.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 22.9 t -80.13 53.45 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.842 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.1 p 168.99 -33.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -137.32 103.16 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -99.22 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.4 m170 -118.36 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.234 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.621 ' CE1' HG23 ' A' ' 21' ' ' THR . 23.3 m-85 -138.5 166.86 23.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.93 148.99 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.463 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -108.18 21.78 16.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.27 6.94 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.734 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.694 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.6 tpt180 -115.18 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 p -123.37 172.98 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 2.0 m -94.64 11.41 31.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.6 106.43 13.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -51.71 145.49 15.91 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 69.0 Cg_endo -74.16 178.61 6.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.568 2.178 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -97.71 28.28 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 13.0 p90 -137.13 145.13 48.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.74 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 17.7 Cg_endo -60.14 -77.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.44 2.093 . . . . 0.0 112.443 -179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.58 44.04 0.12 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -98.73 31.12 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.489 -179.975 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.3 mtt -104.59 81.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.66 119.72 18.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.58 -30.14 10.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.508 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER 65.52 111.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.397 -179.655 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -110.93 148.29 32.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.687 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 -167.38 34.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.95 -47.25 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.654 2.236 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.08 -70.0 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -55.11 127.08 27.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 7.9 ptt85 -58.33 -28.46 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 14.7 tt0 173.45 -30.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.072 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.67 23.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -166.92 116.93 0.88 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.722 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.27 117.56 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -43.67 152.69 0.43 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.47 128.9 23.62 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.07 25.85 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.313 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -136.22 136.61 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.75 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.18 126.03 25.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.763 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.1 p -108.84 -29.63 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.315 -179.663 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.5 -73.43 0.67 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.744 -179.294 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 57.37 30.53 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.656 -179.321 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' SER . 12.3 t -53.61 172.38 0.07 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -18.26 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.183 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.675 ' H ' HG23 ' A' ' 25' ' ' THR . 22.6 t -153.94 47.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.566 -179.614 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.909 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 170.79 91.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -98.5 115.59 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -119.52 147.85 43.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CE1' HG23 ' A' ' 21' ' ' THR . 21.2 m-85 -100.8 153.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.22 147.27 26.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 p -106.99 19.11 20.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.3 48.39 15.78 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.698 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -43.01 1.0 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.676 0.274 . . . . 0.0 111.509 -179.655 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -159.76 174.49 14.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' SG ' HG22 ' A' ' 5' ' ' THR . 97.1 m -73.1 -21.27 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.187 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.59 101.64 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -77.14 147.61 76.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -50.93 165.8 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.579 2.186 . . . . 0.0 112.394 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.87 31.36 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -149.11 149.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 94.62 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 88.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -176.73 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.504 179.99 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -66.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.44 -178.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -65.97 163.29 17.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -151.58 76.67 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.02 118.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.493 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -169.09 27.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.76 -19.49 41.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.546 2.164 . . . . 0.0 112.609 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 41.8 t -100.83 -34.85 9.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 179.793 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 143.13 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.68 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -107.34 -85.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -100.52 -32.22 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.59 35.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.928 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -168.87 125.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.509 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.803 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.52 128.5 5.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.129 0.49 . . . . 0.0 111.372 -179.664 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -51.02 162.82 0.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 140.68 93.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.59 159.34 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.83 26.44 65.22 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.116 -179.674 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -125.1 130.81 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.98 114.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.872 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 3.0 p -107.15 34.95 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 1.6 t90 -167.05 -70.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.713 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.28 31.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.454 . . . . 0.0 110.899 -179.354 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -50.52 172.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.062 -179.873 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 58.3 m -82.56 53.72 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.711 179.803 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.1 p 175.52 -35.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.669 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -142.36 133.58 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.227 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 54.7 p -117.8 113.47 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.481 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.7 m170 -113.4 166.42 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.601 -179.094 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 21' ' ' THR . 8.7 m-85 -116.63 155.43 28.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.76 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -123.19 16.39 9.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.49 25.36 13.19 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.782 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -117.67 -43.03 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 155.38 49.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.0 m -82.94 -0.18 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -90.8 90.49 7.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 t -47.63 116.09 4.23 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 42' ' ' TYR . 80.9 Cg_exo -47.96 171.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.53 2.154 . . . . 0.0 112.551 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -97.83 26.44 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 40' ' ' PRO . 11.0 p90 -127.64 145.49 55.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -59.65 -76.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.513 2.142 . . . . 0.0 112.403 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.53 -100.3 1.77 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.73 -170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 43.4 mtp -137.21 144.12 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.82 114.16 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.7 m -105.06 -26.03 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.643 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 112.97 1.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.151 -179.763 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.56 165.94 37.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.8 Cg_endo -54.45 -25.34 39.65 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.562 2.175 . . . . 0.0 112.422 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -95.74 18.02 13.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 178.94 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.88 118.93 27.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.665 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.28 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 7.6 tt0 -115.59 -28.31 6.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.947 0.403 . . . . 0.0 110.286 179.292 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 43.2 t 175.4 38.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.829 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -155.2 118.73 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.7 tt -45.58 113.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -50.82 143.14 15.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.27 123.92 12.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.513 2.142 . . . . 0.0 112.521 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -44.66 150.62 0.33 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.86 17.54 80.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.6 m -127.62 121.08 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.515 179.897 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 8.0 t -51.12 126.52 16.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.056 0.455 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.31 -39.59 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.997 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.2 t90 -86.38 -74.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.777 -179.075 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 56.28 23.94 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.505 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.789 HG23 ' H ' ' A' ' 28' ' ' SER . 10.2 t -54.67 167.16 0.38 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.3 m -84.2 56.73 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.212 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p 178.1 -34.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.343 179.759 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.789 ' H ' HG23 ' A' ' 25' ' ' THR . 4.5 t -153.0 99.95 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 -179.607 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.413 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 18.4 m -86.01 154.76 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.671 179.577 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' C ' ' A' ' 29' ' ' SER . 23.9 m-70 -143.87 -172.2 3.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.832 0.348 . . . . 0.0 111.223 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 4.9 m-85 -141.36 126.48 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -68.98 140.64 55.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.595 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.443 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 13.2 p -99.85 19.27 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.741 -179.888 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.691 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 46.06 27.33 2.48 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.89 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.813 ' C ' HD11 ' A' ' 15' ' ' LEU . 6.2 mtt85 -114.81 -28.43 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.729 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.0 t -146.69 171.39 15.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.629 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 2.2 m -102.25 17.74 22.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -126.27 103.81 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 8' ' ' PRO . 33.6 m -53.65 143.64 37.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.348 -179.779 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.85 178.17 7.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.624 2.216 . . . . 0.0 112.168 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -98.04 35.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.54 144.07 15.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.45 148.78 43.45 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.531 2.154 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.74 114.41 4.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -163.98 -44.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.48 179.985 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -133.13 85.57 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.52 -179.21 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -40.06 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 37' ' ' CYS . 4.1 m 58.93 68.54 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -94.93 158.89 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.49 -177.93 34.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.4 -24.13 37.18 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.773 2.315 . . . . 0.0 112.724 -179.81 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 50.9 t -107.5 53.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.428 . . . . 0.0 111.157 -179.832 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.38 115.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.006 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 46.18 87.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.504 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.4 m 34.85 53.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.26 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -153.1 114.0 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.764 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.6 mt -47.09 106.11 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.472 179.772 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -56.71 145.33 62.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.303 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.43 131.91 22.72 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.511 2.141 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -49.56 163.45 0.12 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.74 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.69 9.22 65.06 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.5 m -116.3 118.25 32.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.686 0.279 . . . . 0.0 110.507 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' THR . 9.5 t -43.66 96.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.985 0.421 . . . . 0.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' HIS . 8.3 p -60.63 -38.87 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.325 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -105.46 -72.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.449 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.59 ' HG3' HG21 ' A' ' 21' ' ' THR . 6.8 tttt 71.84 24.63 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 27' ' ' VAL . 98.1 m -62.17 148.23 45.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 179.808 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -47.16 -28.59 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.593 -179.672 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.56 ' H ' HG22 ' A' ' 25' ' ' THR . 12.5 p -119.13 -27.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.747 -179.699 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -118.36 92.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.839 -179.194 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.44 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -100.69 123.32 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.746 178.805 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 29' ' ' SER . 5.3 m-70 -137.07 146.52 45.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.991 -178.856 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-30 -98.88 137.2 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 143.22 56.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -94.07 10.47 33.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 44.8 56.1 5.94 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.921 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -169.04 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -133.66 162.51 31.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 111.347 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 5' ' ' THR . 28.4 m -82.79 -19.33 37.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.35 138.0 57.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.1 m -107.12 129.76 23.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.003 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.84 178.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.384 2.056 . . . . 0.0 112.103 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -109.19 30.9 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -160.69 146.96 11.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.84 152.0 36.48 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.564 2.176 . . . . 0.0 112.397 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.4 178.14 35.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 43.97 34.55 0.95 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.782 0.325 . . . . 0.0 111.421 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.517 -179.986 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 mtt 60.35 110.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.77 153.44 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -78.82 149.52 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.5 m -112.64 62.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -41.95 118.14 1.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.62 -179.51 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.23 -166.88 20.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.32 -9.45 21.73 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.629 2.219 . . . . 0.0 112.839 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 51.3 t -118.84 -23.31 7.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.64 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.27 137.85 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.792 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -121.26 93.51 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 77.86 -57.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -174.9 32.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -161.68 118.3 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.622 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -45.94 120.13 2.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.758 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -46.24 168.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.18 145.82 79.67 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.614 2.21 . . . . 0.0 112.423 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -60.14 154.93 18.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 179.533 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.93 18.9 69.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.401 -179.712 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.2 m -117.56 124.31 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.417 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.868 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -50.06 123.94 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 111.005 -179.762 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 23.6 p -111.11 -35.53 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.31 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 -73.26 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.437 -179.571 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.4 tttp 61.45 37.77 16.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.02 173.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.9 p -139.44 39.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.905 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.66 -75.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 -179.886 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 43.8 m 53.72 97.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.186 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 6.0 m-70 -131.73 132.61 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.134 -179.306 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.868 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.4 m-85 -85.77 160.84 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 162.98 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.673 179.778 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.462 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.5 p -117.78 20.51 13.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 26.74 5.87 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.785 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.76 -36.28 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.596 ' HA ' HD22 ' A' ' 15' ' ' LEU . 35.5 m -139.39 171.39 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -91.63 8.11 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 159.0 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.731 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.8 m -104.41 135.33 19.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 39' ' ' CYS . 51.8 Cg_exo -54.99 177.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.199 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -101.74 24.69 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -149.2 147.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.72 -168.19 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.07 -149.01 19.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -94.48 -45.69 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.508 179.975 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mmt -63.62 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -132.22 156.17 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HB3' ' HA ' ' A' ' 13' ' ' CYS . 89.8 m 62.1 147.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.459 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -89.23 109.58 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.848 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.89 152.69 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.92 -162.14 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.24 -25.03 7.47 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.738 2.292 . . . . 0.0 113.031 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 53.7 t -114.82 69.4 0.72 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.76 0.314 . . . . 0.0 111.376 -179.782 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.06 7.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -137.31 6.17 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.58 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 4' ' ' CYS . 44.1 t 177.66 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.044 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -112.52 141.29 46.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HA ' ' A' ' 36' ' ' SER . 1.7 pp -50.81 127.55 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.739 ' O ' HD12 ' A' ' 15' ' ' LEU . 7.1 mttt -47.28 160.45 0.36 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.403 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -74.66 152.07 42.1 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.794 2.329 . . . . 0.0 113.037 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.25 166.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.002 179.45 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.53 18.08 35.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.837 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -126.34 114.51 18.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.755 HG21 ' HD3' ' A' ' 24' ' ' LYS . 14.3 t -49.63 115.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.88 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.5 p -90.16 -30.5 17.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -179.756 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -75.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.321 -179.622 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.755 ' HD3' HG21 ' A' ' 21' ' ' THR . 4.7 tptt 59.4 27.82 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 28' ' ' SER . 6.7 t -55.79 168.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.483 179.777 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.36 57.51 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.358 -179.532 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.5 p 177.14 -35.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.433 179.697 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.783 ' H ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.4 -79.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.366 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 25' ' ' THR . 1.2 m 79.2 119.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.311 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -135.3 172.64 12.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.679 -178.855 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -122.93 126.36 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.276 179.51 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.6 153.87 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 111.186 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.497 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.1 p -109.97 21.28 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.509 179.759 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.529 ' C ' HD11 ' A' ' 15' ' ' LEU . . . 47.34 27.9 4.27 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.825 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -103.02 -32.73 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.74 ' HA ' HD22 ' A' ' 15' ' ' LEU . 30.6 t -163.3 170.91 16.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 5' ' ' THR . 1.6 m -71.96 -21.36 61.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.23 130.88 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.3 m -95.95 142.87 25.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.96 177.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.177 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -111.47 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -148.52 146.3 22.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.11 129.57 15.32 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.466 2.111 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.9 41.3 2.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -67.68 -32.19 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.52 179.987 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.893 0.378 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.2 ttm -106.22 34.63 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -138.99 107.72 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.29 -21.78 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 64.1 130.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.767 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -130.94 128.36 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -153.33 20.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.763 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.07 -50.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.791 2.327 . . . . 0.0 113.219 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -49.71 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -179.47 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -81.98 127.09 32.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -54.96 -81.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.46 8.72 1.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.694 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.58 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -121.37 129.46 53.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -50.13 117.7 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.703 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -48.47 138.43 11.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.59 140.01 75.74 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.616 2.21 . . . . 0.0 112.381 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.96 149.05 0.94 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.05 9.23 85.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.374 -179.62 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -109.88 116.06 30.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 4.2 t -43.12 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.427 -179.635 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 p -64.09 -17.25 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.454 -179.721 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -76.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.815 -179.671 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG3' HG21 ' A' ' 21' ' ' THR . 4.8 tttt 66.96 22.75 10.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.417 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 28' ' ' SER . 12.2 t -54.67 174.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.609 ' O ' HG13 ' A' ' 27' ' ' VAL . 89.1 p -83.85 12.35 6.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.907 -179.542 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.82 ' H ' HG23 ' A' ' 25' ' ' THR . 2.9 m -160.86 28.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.627 0.251 . . . . 0.0 111.381 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.929 ' O ' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER 168.15 92.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.073 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -95.64 132.81 40.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.719 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' O ' ' HA ' ' A' ' 21' ' ' THR . 7.6 m-70 -126.64 -160.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 11.0 m-85 -154.95 130.24 9.67 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.99 148.99 41.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 p -104.08 18.68 21.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 48.58 17.58 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.82 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -133.67 -44.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.854 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.89 174.49 10.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.821 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' HB3' HG22 ' A' ' 5' ' ' THR . 52.8 t -80.4 -3.22 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.7 121.49 25.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -91.68 115.77 65.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -43.34 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.628 2.218 . . . . 0.0 112.682 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.3 p -104.33 27.27 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -146.5 147.33 30.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.38 154.24 50.76 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.63 -53.98 41.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -85.92 91.11 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.882 0.372 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.18 35.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -150.64 85.45 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.2 m -103.56 151.81 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 99.1 m -119.96 81.82 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.64 109.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.324 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 166.64 36.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.25 -21.3 43.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -90.31 -33.07 16.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 110.71 179.836 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 117.47 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.796 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -64.12 -16.66 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 169.14 -29.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.908 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.78 148.27 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.643 179.792 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.733 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -53.12 125.11 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.911 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -52.79 159.76 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 131.21 26.43 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.537 2.158 . . . . 0.0 112.367 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.03 116.55 1.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 16.12 7.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -120.58 136.5 54.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.663 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.71 124.7 20.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -179.634 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.6 p -109.04 25.16 12.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -73.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.542 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 5.5 ttpm? 63.23 32.49 14.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.63 -179.697 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 28' ' ' SER . 14.1 m -67.56 165.06 17.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.817 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 25' ' ' THR . 1.5 m -66.79 -26.58 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.702 -179.454 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.2 p -131.09 34.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -148.95 -75.49 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.845 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 53.7 m 51.69 98.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.798 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.0 m-70 -130.2 173.58 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.476 -178.951 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 21' ' ' THR . 26.7 m-85 -129.66 159.34 36.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.047 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 153.38 21.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -111.64 23.26 14.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 28.83 7.51 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.733 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -109.05 -64.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 111.041 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 p -128.95 171.9 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.6 m -87.08 3.4 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -92.93 92.47 7.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.65 126.49 13.24 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.746 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 12.4 Cg_endo -56.12 159.8 11.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 112.499 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -97.51 25.38 5.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 38.4 p90 -139.67 147.42 51.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.84 155.75 57.66 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.54 2.16 . . . . 0.0 112.298 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.81 28.33 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -118.25 31.24 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.479 -179.99 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.3 mtt -105.36 -58.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -105.51 142.86 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.0 m -81.74 125.5 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.687 HG22 ' HB2' ' A' ' 37' ' ' CYS . 1.1 m -58.75 94.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.67 179.644 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.1 126.24 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 -179.691 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 179.94 39.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.75 -14.69 13.89 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.701 2.268 . . . . 0.0 113.314 -179.467 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 1.2 t -100.67 21.47 13.38 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' HD22 ' A' ' 15' ' ' LEU . 60.8 m -132.39 135.11 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 179.707 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -54.83 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 5.4 tt0 -145.65 6.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 45.3 t 177.17 -30.62 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -112.41 154.08 26.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.352 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.85 HD11 ' O ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -59.68 120.89 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.624 179.696 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -55.3 146.13 43.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.36 131.84 35.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.515 2.143 . . . . 0.0 112.408 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.38 154.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.61 20.6 77.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.343 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -127.69 131.54 49.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.992 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.66 140.59 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -140.99 26.92 2.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.508 -179.436 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.2 t90 -157.95 -65.72 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 6.0 ptpp? 45.81 47.77 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.14 0.495 . . . . 0.0 110.486 -179.252 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 25' ' ' THR . 98.6 m -67.21 64.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.463 -179.365 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m 72.29 -57.01 0.64 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.23 0.538 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 28' ' ' SER . 8.1 p -129.01 -40.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -76.0 87.5 2.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.72 179.792 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.42 110.5 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.698 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -110.78 125.16 53.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.309 -179.179 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.992 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.2 m-85 -80.66 151.5 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.25 153.09 32.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 p -105.2 12.88 31.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.617 179.41 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 55.22 7.11 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.77 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -160.08 -41.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.695 -179.744 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.85 ' O ' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -132.21 153.59 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 111.458 -179.596 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.687 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -72.71 -12.62 61.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.078 179.715 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -87.6 108.34 19.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.977 -179.884 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.19 148.2 95.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.751 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 54.0 Cg_exo -52.0 177.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.53 2.153 . . . . 0.0 112.237 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -117.57 36.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 44.4 p90 -152.93 148.29 20.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.11 -168.06 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.588 2.192 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.76 -78.89 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -92.86 104.57 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.474 179.99 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 mtm -108.0 -32.78 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -156.01 32.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m 63.39 -77.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 3.9 m 74.5 72.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.91 126.92 27.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.87 -152.51 8.48 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.43 -45.9 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.572 2.182 . . . . 0.0 112.246 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -72.03 -35.65 69.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.048 0.452 . . . . 0.0 110.529 179.631 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -69.19 168.47 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -167.59 -66.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 26.5 mt-30 -98.05 19.44 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.827 179.563 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 82.92 31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.405 -179.296 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -154.05 112.62 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.26 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.791 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.45 118.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.164 0.507 . . . . 0.0 111.994 -179.396 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -46.2 151.11 0.98 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.93 143.15 99.7 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.69 22.95 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -124.21 123.51 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -55.19 113.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.736 179.908 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 29.0 p -95.07 -40.72 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.36 -179.449 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -99.19 -58.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.305 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.2 30.2 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.199 -179.618 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.546 HG22 HG12 ' A' ' 27' ' ' VAL . 6.4 m -62.91 141.01 58.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -54.3 -30.71 51.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 HG22 ' A' ' 25' ' ' THR . 12.1 p -89.92 -28.44 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -156.13 107.74 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.539 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -98.89 122.42 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -122.14 -170.42 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CE1' HG23 ' A' ' 21' ' ' THR . 9.6 m-85 -142.46 157.13 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.72 179.864 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.8 148.21 24.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.764 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.6 p -103.95 15.98 27.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 33.92 6.75 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.937 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 -46.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.369 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 172.59 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.799 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 94.0 m -103.97 17.98 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -112.94 98.88 7.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.755 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.8 137.54 83.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 177.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.404 2.069 . . . . 0.0 112.178 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -111.72 37.69 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -162.6 149.52 10.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.39 158.48 56.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.565 2.177 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.01 157.31 6.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -74.66 -32.03 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.84 0.353 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.9 ttm -172.85 145.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.49 85.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -100.54 -50.72 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 37' ' ' CYS . 7.1 m 68.72 140.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.496 -179.876 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.4 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.054 -179.744 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.84 166.78 15.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.624 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HG2' ' HB3' ' A' ' 39' ' ' CYS . 46.6 Cg_endo -68.61 -8.97 24.75 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.756 2.304 . . . . 0.0 112.915 -179.805 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -102.01 42.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.807 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -176.89 131.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 106.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.05 179.352 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 70.37 -68.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 109.849 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 31.5 p -163.85 31.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.474 179.151 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.56 116.3 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 36' ' ' SER . 16.0 mt -44.44 100.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.797 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 140.16 69.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.64 135.69 58.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.519 2.146 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.2 164.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.48 17.04 56.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.401 -179.638 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -120.69 136.14 54.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.442 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -56.92 128.02 34.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.345 -179.569 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.1 p -109.98 24.19 13.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.961 179.662 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -165.1 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.565 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 55.44 33.38 20.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.728 -179.616 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' SER . 15.3 t -52.77 177.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -61.5 -22.76 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.272 -179.147 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.598 ' H ' HG23 ' A' ' 25' ' ' THR . 23.1 t -154.24 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.811 0.339 . . . . 0.0 111.575 -179.5 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.909 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.11 86.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.056 179.837 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -94.41 130.26 40.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.793 179.825 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 21' ' ' THR . 9.9 m-70 -122.8 -176.72 3.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 2.3 m-85 -131.97 155.72 47.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.09 -179.725 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.08 150.68 23.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.7 t -109.26 16.51 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.743 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.4 37.34 8.3 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.86 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 33' ' ' THR . 77.5 mtt180 -118.13 -39.25 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 -179.737 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.66 ' HA ' HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -149.26 170.45 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.613 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.3 m -76.76 -10.24 59.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.377 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.64 119.43 21.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.408 ' HB3' ' HG2' ' A' ' 8' ' ' PRO . 53.8 t -86.3 113.7 53.64 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 91.0 Cg_exo -44.02 163.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.662 2.242 . . . . 0.0 112.672 -179.742 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 1.6 m -101.0 29.42 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 40' ' ' PRO . 16.2 p90 -133.87 146.79 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.75 148.33 41.23 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.584 2.189 . . . . 0.0 112.376 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' CD1' ' A' ' 31' ' ' TYR . . . -59.86 107.9 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -91.37 -55.63 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.451 179.953 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.1 mtp -134.93 142.68 46.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.56 173.15 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.53 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.6 p -141.07 140.71 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 5' ' ' THR . 94.9 m -99.86 61.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.45 179.769 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -28.66 117.31 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.089 -179.639 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.61 -147.67 5.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.507 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.42 -20.59 5.79 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.772 2.315 . . . . 0.0 113.209 -179.552 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -106.3 41.24 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.817 0.341 . . . . 0.0 111.467 -179.49 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 p 176.66 177.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.777 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 179.94 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.41 6.16 24.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.53 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 48.6 t 68.08 44.64 1.43 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -167.55 51.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 111.197 179.609 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.851 HD21 ' HA ' ' A' ' 36' ' ' SER . 0.1 OUTLIER 39.54 105.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.329 179.248 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.21 146.08 3.27 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.997 179.422 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.01 139.09 77.11 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.565 2.177 . . . . 0.0 112.513 -179.798 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 169.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.78 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.76 19.79 44.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.411 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.5 m -118.5 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -57.22 127.69 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.764 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -110.94 28.09 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.47 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.99 0.424 . . . . 0.0 111.137 179.74 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttt 51.49 26.84 3.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 -179.461 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 172.72 1.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.014 -179.784 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -20.1 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.84 -27.62 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.365 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.607 ' HB3' ' CE3' ' A' ' 23' ' ' TRP . 11.1 t -148.61 -170.14 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.098 0.475 . . . . 0.0 111.738 -179.088 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p 179.55 122.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.305 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -131.71 -167.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.083 -179.23 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.99 162.09 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.18 156.19 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 p -112.26 16.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.95 48.97 18.49 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.839 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -138.31 -45.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.232 -179.809 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.851 ' HA ' HD21 ' A' ' 15' ' ' LEU . 1.9 m -142.3 165.45 27.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 54.1 m -83.82 -1.13 53.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.471 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.86 83.16 6.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.3 t -57.93 136.24 83.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.03 147.35 5.15 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.567 2.178 . . . . 0.0 112.62 -179.764 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.73 18.07 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -144.08 144.3 25.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.9 153.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.467 2.111 . . . . 0.0 112.393 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.0 128.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -60.95 -37.22 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.514 -179.988 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.852 0.358 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mtt -153.61 154.79 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.8 33.64 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 m -89.37 165.68 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.519 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -105.04 98.17 7.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.623 179.916 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -86.13 146.94 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 179.82 19.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.03 -23.58 15.9 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.654 2.236 . . . . 0.0 112.574 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -100.89 47.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.005 0.431 . . . . 0.0 111.041 -179.891 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 130.8 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -58.3 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 1.7 tm0? -142.74 7.0 1.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.725 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 50.6 t 177.09 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.241 . . . . 0.0 111.379 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -115.04 157.02 24.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 110.975 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 36' ' ' SER . 2.3 mt -58.06 128.67 38.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.657 179.811 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -52.7 145.74 20.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.636 179.883 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.14 122.07 10.97 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.128 . . . . 0.0 112.3 -179.861 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.75 1.88 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.36 25.86 64.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.182 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -131.2 136.83 48.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.298 . . . . 0.0 110.645 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.987 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.05 124.95 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.805 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.5 p -104.32 -41.0 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 -179.824 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -72.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 111.242 -179.801 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 62.66 30.93 16.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.857 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 26' ' ' SER . 1.6 m -64.29 172.61 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 179.742 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 25' ' ' THR . 0.7 OUTLIER -86.75 46.83 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.6 p 173.42 -35.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -76.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.129 -179.7 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 71.0 m 59.48 97.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.976 -179.805 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.1 m-70 -131.31 169.89 15.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.292 -179.182 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.987 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.7 m-85 -118.26 159.33 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.663 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 149.84 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 p -109.36 17.72 21.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.61 179.489 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 49.78 16.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.765 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.5 ttt180 -138.3 -45.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.428 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.524 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -140.28 162.56 34.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.733 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' SG ' HG22 ' A' ' 5' ' ' THR . 1.7 m -78.42 -7.42 57.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.376 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.25 102.16 12.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -62.11 144.89 93.99 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -51.77 171.22 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.4 m -111.13 23.76 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -149.7 146.2 20.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.761 179.891 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.32 108.28 2.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.5 2.133 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.59 -28.52 65.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.25 -31.17 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 176.95 33.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.04 -28.54 19.04 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.421 2.08 . . . . 0.0 112.168 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 179.246 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -97.22 114.68 26.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.583 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -54.67 -23.89 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 167.75 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.795 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -177.57 34.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.716 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -156.53 116.73 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.859 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.6 tt -46.46 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -51.92 149.14 9.44 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.61 131.57 30.01 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.562 2.175 . . . . 0.0 112.403 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -51.53 154.51 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.78 24.54 72.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.352 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.7 m -124.4 125.96 45.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.973 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.19 112.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.791 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.1 p -99.41 -41.95 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -91.06 -70.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 58.21 28.91 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -59.31 135.18 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 p -52.69 -34.81 53.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -87.02 -19.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -163.78 115.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.954 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -102.49 132.59 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.7 m-70 -132.18 -168.52 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.9 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.973 ' CE2' HG23 ' A' ' 21' ' ' THR . 7.1 m-85 -149.59 155.52 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.784 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.66 146.2 23.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.482 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.454 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 19.7 p -107.06 21.62 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.736 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.614 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 47.87 27.29 4.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.859 ' C ' HD11 ' A' ' 15' ' ' LEU . 31.6 mtt85 -114.99 -27.9 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.707 0.289 . . . . 0.0 111.254 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.574 ' N ' HD11 ' A' ' 15' ' ' LEU . 29.0 t -147.27 173.76 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -102.23 17.63 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -127.12 104.84 8.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.2 m -51.42 145.83 13.62 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 173.88 10.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.581 2.187 . . . . 0.0 112.287 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 p -97.81 25.79 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -143.84 148.3 41.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 C--N 1.344 0.313 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.817 0.342 . . . . 0.0 111.097 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.44 -158.8 27.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.399 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.29 -23.98 17.19 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 0.0 112.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -97.16 -33.83 11.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 6' ' ' THR . 3.8 m -99.86 159.13 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -174.66 -42.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 18.2 mt-30 -94.2 14.84 18.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 26.0 t 76.9 27.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.5 105.38 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.33 117.77 0.74 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.0 mtmt -42.46 146.17 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.413 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 40.9 Cg_exo -56.43 136.18 74.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.561 2.174 . . . . 0.0 112.494 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.44 114.02 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.68 18.73 5.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -128.21 135.64 49.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.412 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.65 130.62 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 31.4 p -110.22 -27.97 8.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -71.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 111.343 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp 55.37 32.82 19.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 28' ' ' SER . 14.5 t -55.22 177.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 t -62.11 -21.75 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.195 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.586 ' H ' HG23 ' A' ' 25' ' ' THR . 22.7 t -154.16 47.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.881 0.372 . . . . 0.0 111.619 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.908 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 174.44 86.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.062 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -94.3 133.2 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -134.78 155.96 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -107.0 155.76 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 153.13 17.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.419 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 11.8 p -112.58 19.38 17.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' HD12 ' A' ' 15' ' ' LEU . . . 46.49 49.02 16.35 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.735 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 -46.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.312 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -153.31 173.75 15.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 37.7 m -72.71 -19.61 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.255 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.81 118.03 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.14 141.68 31.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.76 171.42 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.442 2.095 . . . . 0.0 112.259 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -105.31 26.32 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -160.16 141.9 9.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 122.514 2.142 . . . . 0.0 112.385 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.856 0.36 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.09 169.64 30.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.51 -27.37 68.54 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.684 2.256 . . . . 0.0 112.243 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.5 t -86.92 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 143.2 37.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -78.55 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -130.46 -0.58 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.685 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -179.54 -36.67 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.691 0.281 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -126.44 150.32 48.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.79 0.328 . . . . 0.0 110.742 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.773 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.42 142.61 4.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -60.48 163.76 8.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.69 130.18 32.26 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.492 2.128 . . . . 0.0 112.272 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.79 153.64 0.39 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.73 17.19 78.05 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.224 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.1 m -121.01 119.6 32.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.51 134.16 55.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 p -107.8 -36.67 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.277 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -93.98 -69.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 111.333 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 52.06 26.91 4.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.919 HG22 ' O ' ' A' ' 28' ' ' SER . 11.6 t -59.65 177.51 0.21 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -64.41 -20.11 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.391 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 27' ' ' VAL . 18.2 t -153.38 45.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.919 ' O ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER 172.16 87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.286 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 83.9 p -105.97 135.57 47.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -136.06 157.27 47.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -110.66 160.94 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.0 m -92.7 148.38 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -109.27 20.58 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.511 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.97 31.92 5.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 -125.27 -42.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.8 t -141.46 163.06 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.6 m -92.05 8.32 38.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.87 101.28 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.822 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.1 m -57.68 135.05 82.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 178.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.448 2.098 . . . . 0.0 112.286 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 p -109.42 29.69 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -162.2 144.19 8.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.707 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.5 2.134 . . . . 0.0 112.366 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.868 0.366 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.78 -164.47 11.07 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.653 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.99 -5.12 16.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.783 2.322 . . . . 0.0 113.137 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -108.49 -36.36 6.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.751 0.31 . . . . 0.0 111.1 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.0 m -99.96 114.45 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 111.178 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -115.47 -12.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 14.4 mt-30 -136.89 13.23 3.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER 80.13 36.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.881 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 15' ' ' LEU . 15.9 tttm -158.66 84.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.775 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -18.09 125.6 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.253 -179.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -47.42 144.34 4.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.52 125.68 12.86 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.59 2.193 . . . . 0.0 112.613 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.31 123.8 10.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.038 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.3 24.11 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.234 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -129.59 142.68 50.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.715 0.293 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.875 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.45 139.28 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.999 0.428 . . . . 0.0 111.153 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.07 -40.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.302 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -112.44 42.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.714 -179.223 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -67.58 66.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.743 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 28' ' ' SER . 10.1 t -77.48 174.07 11.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -64.2 -21.35 66.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.503 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.8 p -131.97 34.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 111.498 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.53 ' HB3' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER 177.63 173.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 59.0 p -178.85 117.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.736 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -120.82 158.25 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.875 ' CE2' HG23 ' A' ' 21' ' ' THR . 2.9 m-85 -104.72 129.24 52.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 153.04 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.736 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 p -105.02 18.82 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.04 39.33 11.66 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -136.16 -57.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -115.67 171.71 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.705 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 4.4 m -103.74 17.65 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.27 104.54 13.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.83 133.73 95.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 178.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.435 2.09 . . . . 0.0 112.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.73 30.86 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.65 144.53 14.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.763 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.344 0.313 0 C-N-CA 122.505 2.137 . . . . 0.0 112.346 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.58 -157.96 9.15 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.683 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.8 Cg_endo -68.95 -53.3 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.675 2.25 . . . . 0.0 112.792 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -61.22 -30.44 70.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.955 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.86 136.49 34.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -94.56 -71.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.417 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 10.2 mt-30 -119.54 -25.82 5.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.947 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 53.3 t 161.16 47.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.05 0.54 . . . . 0.0 109.619 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -166.69 127.82 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -47.67 116.84 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.891 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -50.32 143.82 12.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.631 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.51 124.07 14.86 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.359 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.56 160.12 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.7 23.52 65.32 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.163 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -124.53 126.45 45.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.487 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.566 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -52.14 113.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.293 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.72 24.43 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.445 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -166.65 -73.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.719 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 60.49 28.59 18.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.613 HG22 HG12 ' A' ' 27' ' ' VAL . 98.6 m -53.83 155.93 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 18.8 t -77.68 55.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 25' ' ' THR . 8.0 p 170.15 -33.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -139.16 103.31 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.936 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -98.68 129.76 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.474 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.1 m-70 -126.42 -172.79 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.303 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CE2' HG23 ' A' ' 21' ' ' THR . 11.3 m-85 -149.62 141.75 24.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.96 146.46 35.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 p -100.21 16.92 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.57 27.06 4.14 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.655 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -141.65 18.8 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.748 0.308 . . . . 0.0 111.094 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.922 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -177.47 156.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.664 ' SG ' HD23 ' A' ' 15' ' ' LEU . 1.5 m -101.93 17.09 24.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.818 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -114.84 93.72 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 17.0 t -50.7 106.92 0.7 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 84.4 Cg_exo -46.3 166.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.618 2.212 . . . . 0.0 112.64 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.3 m -98.38 29.96 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 20.7 p90 -137.01 146.96 56.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.338 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.08 -176.82 23.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.462 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.35 -35.64 6.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.572 2.182 . . . . 0.0 112.845 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 45.1 t -97.83 41.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 1.5 m -145.57 146.11 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -89.51 49.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 73.18 6.26 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.727 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t -173.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.716 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -123.7 139.43 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 111.18 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.833 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.36 126.6 13.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.999 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mtpt -57.35 166.4 1.64 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 36.7 Cg_exo -60.38 116.81 3.58 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.553 2.169 . . . . 0.0 112.336 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' N ' ' A' ' 34' ' ' GLY . . . -53.66 121.09 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 131.05 -4.57 5.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.777 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -116.54 151.38 36.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 110.491 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.68 127.49 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.003 0.43 . . . . 0.0 111.111 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -110.91 28.74 8.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.01 -74.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.629 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' H ' ' HA ' ' A' ' 29' ' ' SER . 45.9 tttm 47.89 33.37 3.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.465 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 66.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.515 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 77.33 -56.32 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.011 0.434 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 8.9 p -133.71 -44.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.84 85.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.534 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.525 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 16.0 p -114.77 127.3 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.1 m-70 -136.39 129.15 30.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.3 m-85 -69.98 159.13 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.94 142.42 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 15.47 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' N ' ' HB2' ' A' ' 18' ' ' ALA . . . 42.91 36.21 2.5 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.938 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.51 -49.94 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 111.271 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.98 166.47 24.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.21 -25.97 52.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.47 102.06 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.5 m -60.72 147.62 83.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.657 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.76 169.52 7.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.389 2.059 . . . . 0.0 111.949 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.89 19.43 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.323 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -143.81 140.85 17.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.344 0.329 0 C-N-CA 122.503 2.135 . . . . 0.0 112.333 -179.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.43 10.41 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.693 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.75 -43.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.167 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.77 -61.24 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.637 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.0 p -59.01 118.35 5.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -52.64 -70.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.342 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -142.69 7.99 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -174.81 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 139.04 54.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.266 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.79 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.74 128.94 21.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.6 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -47.48 153.57 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.75 131.53 38.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.386 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 161.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.4 26.3 59.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.235 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.9 m -126.91 139.9 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.456 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.59 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.02 117.84 5.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.761 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -110.56 45.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -176.37 -73.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' H ' ' HA ' ' A' ' 29' ' ' SER . 8.4 tttp 58.43 49.92 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.05 0.452 . . . . 0.0 110.162 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 25' ' ' THR . 77.1 m -69.69 63.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.609 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 t 72.47 -55.82 0.66 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.33 -37.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.516 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -44.77 -68.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.417 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 2.3 p 52.43 111.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.734 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -128.47 125.41 38.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.3 m-85 -77.09 152.11 35.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.53 175.45 6.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 p -127.18 18.64 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.802 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.72 37.25 14.08 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -120.38 -40.61 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 111.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 15' ' ' LEU . 8.1 m -148.16 159.12 44.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -68.56 -23.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.577 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -71.04 92.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.3 t -52.45 132.93 44.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 73.2 Cg_exo -50.96 162.32 1.13 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.494 2.13 . . . . 0.0 112.471 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -98.13 26.95 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 29.4 p90 -137.29 146.29 53.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.804 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo . . . . . 0 C--N 1.345 0.357 0 C-N-CA 122.464 2.109 . . . . 0.0 112.345 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.948 0.404 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 -143.51 6.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 7.6 Cg_exo -72.23 -44.74 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.818 2.345 . . . . 0.0 112.421 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -96.77 27.49 3.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.233 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.16 115.15 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.853 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -136.23 7.95 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.672 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.2 11.02 0.61 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.33 10.56 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.536 0.208 . . . . 0.0 111.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -151.31 51.97 0.84 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.264 0.554 . . . . 0.0 110.947 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 35' ' ' ARG . 2.2 mt 56.0 129.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.787 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.73 147.11 98.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.306 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.84 122.83 12.5 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.523 2.149 . . . . 0.0 112.185 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.89 163.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.349 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.61 19.75 58.46 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.262 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.46 136.59 54.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 110.607 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -60.85 129.5 41.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.924 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 28.89 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.26 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.396 179.729 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.23 30.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.794 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.27 169.2 15.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -13.54 62.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -101.48 -31.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.404 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -153.35 -174.24 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 111.54 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 81.0 p -171.77 121.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 21' ' ' THR . 1.2 m-70 -130.53 -165.72 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 21' ' ' THR . 12.9 m-85 -138.74 155.79 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.23 156.42 16.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 p -111.5 16.0 20.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.73 27.5 4.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.837 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.654 ' C ' HD13 ' A' ' 15' ' ' LEU . 8.3 ttt180 -113.44 -36.56 4.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.64 ' HA ' HD22 ' A' ' 15' ' ' LEU . 25.6 m -146.06 171.25 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.653 ' SG ' HD23 ' A' ' 15' ' ' LEU . 51.2 m -94.66 11.06 32.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -101.26 96.16 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.812 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 42.6 t -57.57 134.65 82.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.71 156.67 26.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.567 2.178 . . . . 0.0 112.378 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -96.56 22.11 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.216 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -140.82 143.1 30.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.506 2.137 . . . . 0.0 112.351 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.85 0.357 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.14 179.54 41.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.91 4.48 6.08 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.725 2.283 . . . . 0.0 113.274 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -124.07 19.17 9.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.579 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.1 m -132.86 135.39 45.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -53.81 -79.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 57.0 mt-30 -140.6 6.63 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.769 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 48.3 t -179.67 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' NZ ' HD12 ' A' ' 15' ' ' LEU . 6.1 tmtm? -113.87 158.31 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.646 HD22 ' C ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -58.8 127.85 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.654 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.38 142.31 86.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.537 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.7 123.37 13.22 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.566 2.177 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.38 161.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.31 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.17 18.44 67.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.363 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -125.32 128.26 47.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.725 HG21 ' HD3' ' A' ' 24' ' ' LYS . 12.7 t -45.53 115.87 1.04 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 13.1 p -84.52 -40.16 17.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.453 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.52 -73.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.644 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.725 ' HD3' HG21 ' A' ' 21' ' ' THR . 0.4 OUTLIER 56.02 28.04 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.608 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.786 HG23 ' H ' ' A' ' 28' ' ' SER . 3.1 t -56.55 173.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -82.21 56.07 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.22 -37.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.786 ' H ' HG23 ' A' ' 25' ' ' THR . 72.0 m -128.28 -176.51 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -165.93 128.85 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 21' ' ' THR . 10.8 m-70 -137.66 152.97 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -106.62 131.18 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.103 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.65 148.54 46.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.625 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -104.13 16.77 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.02 51.16 8.66 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.808 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.646 ' C ' HD22 ' A' ' 15' ' ' LEU . 5.6 ttt-85 -147.02 -43.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 111.459 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.584 ' N ' HD22 ' A' ' 15' ' ' LEU . 33.2 t -131.32 157.21 43.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.194 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -77.58 -7.14 55.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.226 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -80.8 155.16 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.83 133.89 22.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.89 178.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.392 2.061 . . . . 0.0 112.184 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -109.87 31.04 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -165.33 147.67 6.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.302 0 C-N-CA 122.533 2.155 . . . . 0.0 112.339 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.28 177.21 48.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.23 -28.74 64.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.479 2.119 . . . . 0.0 112.243 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -80.73 -32.7 35.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.933 0.397 . . . . 0.0 110.5 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 140.8 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.69 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.08 -70.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.79 -23.07 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t 178.91 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -113.13 141.76 46.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.823 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.65 129.99 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.069 0.462 . . . . 0.0 111.25 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.1 162.16 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.24 128.27 23.42 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.484 2.123 . . . . 0.0 112.286 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 149.15 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.03 24.35 76.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.341 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -121.74 123.1 41.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.749 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.836 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.62 115.59 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.1 p -101.56 -42.71 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.024 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.62 -69.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tttt 57.6 30.14 18.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.61 HG22 HG12 ' A' ' 27' ' ' VAL . 5.3 m -59.43 135.41 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.782 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -51.14 -26.53 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.159 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 HG22 ' A' ' 25' ' ' THR . 12.0 p -97.62 -22.05 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.395 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 2.9 t -159.09 107.92 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 111.282 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m -98.67 125.64 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -122.7 -170.55 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.836 ' CE1' HG23 ' A' ' 21' ' ' THR . 9.8 m-85 -148.23 154.16 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.774 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -91.64 147.55 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.66 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -107.42 22.98 15.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.59 26.6 7.71 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.778 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -115.09 -62.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.978 0.418 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.58 170.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 2.5 m -100.48 15.91 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -120.67 104.42 9.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 m -50.89 141.11 19.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.11 177.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.466 2.111 . . . . 0.0 112.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -114.16 34.73 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -148.83 147.77 25.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.49 2.127 . . . . 0.0 112.316 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.836 0.351 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -156.67 26.82 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.423 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.29 -24.7 12.13 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.85 2.366 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.1 -24.04 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -97.03 121.41 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -152.07 22.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 4.0 mt-30 -153.23 18.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.1 t 76.05 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -163.38 107.16 1.03 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.195 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -37.93 123.67 1.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -44.96 166.4 0.13 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.323 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -69.91 148.12 63.37 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.821 2.347 . . . . 0.0 112.434 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 160.85 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.04 58.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.497 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -119.21 132.96 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.62 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.91 128.36 32.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.8 -39.68 4.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -94.55 -72.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 53.01 34.1 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 28' ' ' SER . 14.5 t -55.86 164.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -21.01 66.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.422 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 27' ' ' VAL . 13.6 t -121.46 27.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.648 0.261 . . . . 0.0 111.532 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.567 ' N ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER 178.89 -171.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -177.73 112.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -125.84 134.22 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.62 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.7 m-85 -81.76 170.72 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 157.88 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 p -116.59 20.34 14.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 15' ' ' LEU . . . 47.59 37.07 13.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.749 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.654 ' C ' HD13 ' A' ' 15' ' ' LEU . 30.3 mtt180 -117.18 -37.69 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.569 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 m -164.24 172.89 13.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -71.17 -32.36 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.06 106.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.4 m -79.09 147.69 70.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 177.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.548 2.165 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -114.4 28.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.98 148.18 14.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.271 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.694 0.283 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.89 -148.53 17.68 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.836 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -86.83 -33.3 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.989 2.459 . . . . 0.0 113.6 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -94.95 31.83 1.79 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.167 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.09 120.54 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.395 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -46.58 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 10.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -132.71 133.88 44.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.783 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.35 137.46 4.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.86 147.52 23.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.629 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.04 126.62 22.09 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.661 2.241 . . . . 0.0 112.258 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -44.66 158.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.394 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.44 17.51 70.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -126.72 128.96 47.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.648 0.261 . . . . 0.0 110.565 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.713 HG21 ' HD3' ' A' ' 24' ' ' LYS . 13.3 t -50.93 134.93 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.503 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 28.0 p -105.91 -41.69 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.53 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -97.23 -53.2 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 111.289 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.713 ' HD3' HG21 ' A' ' 21' ' ' THR . 15.8 ttpt 49.58 27.81 2.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 26' ' ' SER . 33.1 m -63.95 164.55 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.9 m -83.84 51.57 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 26' ' ' SER . 8.1 p 172.23 -35.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -79.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.079 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.463 ' HA ' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER 59.89 116.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 9.4 m-70 -139.3 154.02 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.076 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.4 m-85 -102.42 125.2 49.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.57 144.34 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.405 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 6.6 p -101.57 18.27 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.25 37.7 8.27 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.828 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.81 -42.96 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -143.43 171.92 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 46.4 t -85.52 -0.11 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.473 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -86.79 141.27 28.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.5 m -107.27 136.54 19.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.42 178.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.156 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -107.68 28.93 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -162.94 144.1 7.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.725 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--N 1.345 0.352 0 C-N-CA 122.495 2.13 . . . . 0.0 112.4 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.12 -161.9 28.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.92 -24.18 46.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.441 2.094 . . . . 0.0 112.175 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 38.0 t -112.57 27.75 9.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 6' ' ' THR . 79.8 m -151.72 104.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -141.2 20.8 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -148.59 15.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.402 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 68.63 20.05 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.48 103.93 2.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.226 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.807 HD21 ' C ' ' A' ' 36' ' ' SER . 1.2 mt -36.47 118.64 0.56 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.408 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -47.8 150.1 2.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.59 133.93 41.98 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.555 2.17 . . . . 0.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.62 165.01 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.09 18.35 47.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.41 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.1 m -124.66 130.17 51.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.772 0.32 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.604 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.6 t -56.73 127.18 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.3 p -105.28 -28.68 10.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.7 OUTLIER -95.94 -69.17 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp 59.36 27.95 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.018 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.66 HG22 HG12 ' A' ' 27' ' ' VAL . 6.8 m -59.8 133.73 56.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.709 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -50.14 -26.69 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 25' ' ' THR . 11.8 p -97.27 -22.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.4 m -158.75 108.64 2.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.613 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.7 p -97.92 133.92 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -131.19 170.88 13.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.604 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -120.61 133.2 55.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -85.7 164.81 17.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -119.63 19.57 12.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 47.1 18.52 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.851 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 mtt85 -132.68 -46.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.807 ' C ' HD21 ' A' ' 15' ' ' LEU . 13.4 p -132.87 158.99 41.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -68.52 -29.91 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.591 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.43 147.64 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.98 141.95 25.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.86 179.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.522 2.148 . . . . 0.0 112.24 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.24 -26.84 13.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -92.06 147.43 34.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 C--N 1.345 0.364 0 C-N-CA 122.589 2.193 . . . . 0.0 112.359 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.93 0.395 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.47 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.59 -18.54 42.86 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.671 2.247 . . . . 0.0 112.993 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -115.36 22.47 13.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.047 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -129.32 -1.0 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -144.57 9.93 1.4 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t 67.45 19.33 10.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 15' ' ' LEU . 10.4 ttmm -147.19 47.42 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.284 0.564 . . . . 0.0 110.835 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.787 HD23 ' SG ' ' A' ' 37' ' ' CYS . 12.2 mt 53.51 136.56 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.105 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -74.34 139.8 75.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.67 121.97 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.478 2.118 . . . . 0.0 112.282 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.92 165.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.67 20.98 57.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.058 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.4 m -120.94 126.47 50.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.517 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.75 113.2 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.311 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 p -97.46 29.32 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.438 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -177.12 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.369 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.446 ' CA ' ' HA ' ' A' ' 29' ' ' SER . 16.4 ptpt 47.88 29.31 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.062 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.668 HG22 ' H ' ' A' ' 27' ' ' VAL . 18.7 m -59.97 126.72 28.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.434 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -50.01 -25.49 3.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.764 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.668 ' H ' HG22 ' A' ' 25' ' ' THR . 14.5 p -107.98 20.63 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 111.348 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.446 ' HA ' ' CA ' ' A' ' 24' ' ' LYS . 23.1 t 66.22 114.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' O ' HG22 ' A' ' 21' ' ' THR . 6.2 m-70 -129.54 -169.26 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.517 ' CE2' HG23 ' A' ' 21' ' ' THR . 17.1 m-85 -148.31 145.8 28.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.99 147.37 27.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.573 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 p -103.81 16.24 26.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.45 27.07 3.96 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.812 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.622 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -115.85 -35.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.593 ' C ' HD22 ' A' ' 15' ' ' LEU . 24.3 p -140.12 172.69 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.682 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' HD23 ' A' ' 15' ' ' LEU . 3.9 m -100.4 16.68 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.839 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.67 99.9 8.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 25.3 t -53.15 123.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 19.8 Cg_endo -60.58 168.47 6.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.59 2.193 . . . . 0.0 112.529 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m -99.96 27.71 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 22.8 p90 -135.22 144.88 51.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.829 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.513 2.142 . . . . 0.0 112.329 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 159.91 23.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.15 -28.29 60.36 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.229 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 43.3 t -98.57 33.66 2.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.223 0.535 . . . . 0.0 110.538 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -130.88 142.88 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 20.9 ttt180 -97.23 42.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 1.7 mt-30 85.74 -25.89 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.411 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 35.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.261 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -159.3 115.05 2.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.817 0.342 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.868 HD11 ' N ' ' A' ' 36' ' ' SER . 2.3 tt -47.06 105.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -48.83 142.66 8.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.35 134.3 41.33 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.47 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 165.99 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.22 14.31 59.25 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.51 122.85 42.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.811 0.339 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.904 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.87 121.71 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 -179.736 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -114.48 43.16 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -175.02 -72.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 10.2 pttm 47.26 33.06 2.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.877 HG23 ' H ' ' A' ' 28' ' ' SER . 1.5 t -45.6 168.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.179 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 7.9 t -79.43 55.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.4 p 169.32 -32.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.877 ' H ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -124.2 -169.44 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.929 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -175.11 120.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.9 m-70 -128.38 165.1 21.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.275 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.904 ' CE2' HG23 ' A' ' 21' ' ' THR . 9.2 m-85 -123.65 163.38 21.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.275 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.27 145.69 28.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -102.24 13.32 34.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.29 27.77 2.91 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.964 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.59 ' C ' HD11 ' A' ' 15' ' ' LEU . 5.5 ttt180 -138.05 10.46 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.868 ' N ' HD11 ' A' ' 15' ' ' LEU . 12.2 t 179.24 158.54 0.61 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.746 0.308 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.0 m -90.87 7.32 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -102.19 95.03 6.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 9' ' ' CYS . 5.4 t -46.52 123.02 7.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.7 171.26 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.562 2.174 . . . . 0.0 112.509 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.448 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -102.49 24.38 10.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.13 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -135.83 144.81 50.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 C--N 1.344 0.3 0 C-N-CA 122.519 2.146 . . . . 0.0 112.335 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.888 0.375 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.79 -175.09 25.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -25.67 16.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.6 2.2 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -102.78 53.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -176.13 126.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.625 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -128.7 -14.56 4.57 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -176.3 34.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.657 0.265 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -157.93 117.29 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.771 0.32 . . . . 0.0 110.673 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -46.21 116.24 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -47.15 137.17 8.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.025 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.72 142.59 70.92 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.471 2.114 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 167.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.23 22.18 49.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -129.58 134.12 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.555 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.39 118.41 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -98.58 -33.02 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -105.42 -71.59 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 60.79 27.66 17.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 26' ' ' SER . 86.4 m -58.44 162.4 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 25' ' ' THR . 89.0 p -47.02 -44.76 20.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.427 . . . . 0.0 111.038 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.93 -22.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 88.57 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 111.582 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 t -103.79 105.57 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.957 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.1 m-70 -129.14 146.02 51.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.281 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.6 m-85 -92.9 169.94 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -98.58 151.34 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -108.72 14.12 24.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.17 3.96 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.763 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.07 -33.46 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.63 0.252 . . . . 0.0 111.541 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.785 ' N ' HD21 ' A' ' 15' ' ' LEU . 11.2 p -161.2 172.18 17.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 41.2 m -78.88 -8.06 58.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.395 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.03 101.7 11.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.809 0.338 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.69 149.45 95.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.1 178.12 4.46 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.25 -29.39 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -94.43 148.32 34.78 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 122.584 2.189 . . . . 0.0 112.355 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.14 -154.15 25.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.637 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.16 -46.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.835 2.356 . . . . 0.0 113.146 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.78 49.26 1.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.397 . . . . 0.0 111.286 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 30.5 p -177.92 138.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.012 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 164.55 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 67.63 -73.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.49 35.16 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.18 143.48 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.81 137.87 9.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' HD22 ' A' ' 15' ' ' LEU . 2.0 mtmm -68.78 143.94 95.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 145.65 97.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.28 169.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.93 19.32 50.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -127.33 128.19 45.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.711 0.291 . . . . 0.0 110.279 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.522 HG21 ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.78 123.03 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 0.0 111.099 -179.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.03 -28.86 13.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.98 -70.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.501 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER 53.76 35.63 21.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.706 HG23 ' H ' ' A' ' 28' ' ' SER . 1.8 t -56.17 174.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -52.08 -40.54 61.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.265 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 28' ' ' SER . 12.1 p -108.88 -48.59 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.706 ' H ' HG23 ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.1 -177.04 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.37 . . . . 0.0 111.176 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 p -177.06 108.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.3 m-70 -124.31 141.64 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.02 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -95.88 159.87 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.83 144.52 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.8 p -100.25 14.84 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.34 54.07 8.94 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -153.93 -50.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.0 173.87 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.983 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.6 t -91.56 8.13 38.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.314 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.11 117.54 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.808 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.53 130.22 54.37 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.41 -179.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.34 2.027 . . . . 0.0 111.929 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.01 36.98 2.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -168.42 147.25 3.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.802 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.527 2.152 . . . . 0.0 112.365 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.938 0.399 . . . . 0.0 111.497 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 -170.75 22.82 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.15 -35.44 11.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.7 2.266 . . . . 0.0 112.127 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 22' ' ' CYS . 35.2 t -82.29 -30.79 30.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 103.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.431 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 12.5 ttm180 -70.1 -11.52 60.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.442 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 173.95 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.1 t -178.07 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.813 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.94 118.2 36.12 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.812 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.61 114.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' HB2' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -43.55 149.59 0.59 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.046 -179.355 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.58 140.21 36.76 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.827 2.351 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -54.6 171.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.03 18.84 42.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.398 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -120.56 114.16 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.731 0.3 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.1 t -47.57 108.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 9' ' ' CYS . 31.7 p -94.05 42.44 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.329 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' H ' ' HA ' ' A' ' 29' ' ' SER . 3.1 tptm 54.21 34.36 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.689 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.77 65.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.185 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.48 -55.96 0.47 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 28' ' ' SER . 9.5 p -133.59 -44.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.207 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -68.98 90.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 54.3 p -119.0 131.36 56.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.026 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.3 m-70 -135.98 111.98 9.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.947 0.403 . . . . 0.0 111.329 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.5 m-30 -59.77 121.02 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 158.97 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.477 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 15.9 p -104.9 16.22 26.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.82 27.19 4.61 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.851 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -119.7 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -135.06 153.43 52.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -75.62 -8.3 56.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.36 172.42 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.337 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.4 m -135.72 128.87 18.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.324 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 39' ' ' CYS . 37.2 Cg_exo -56.97 178.1 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.444 2.096 . . . . 0.0 112.015 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 p -104.01 19.23 20.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.7 144.07 25.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.574 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.519 2.146 . . . . 0.0 112.499 -179.755 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.872 0.367 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 176.48 15.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.46 -7.23 19.35 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.782 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -123.06 54.1 1.26 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -179.3 120.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.408 . . . . 0.0 111.393 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.329 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -53.05 95.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.225 0.536 . . . . 0.0 111.289 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t 43.37 58.11 3.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.07 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 119.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 110.789 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.721 HD21 ' C ' ' A' ' 35' ' ' ARG . 1.3 tp -47.04 120.04 2.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.812 0.339 . . . . 0.0 110.251 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.14 135.03 49.9 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.21 127.34 21.8 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.454 2.103 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.89 152.11 2.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.46 78.97 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -130.27 118.53 21.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.3 t -45.78 94.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.7 p -65.19 -39.66 93.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.96 -69.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.729 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.14 28.97 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.291 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.6 m -53.18 152.09 4.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.947 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -45.87 -30.23 1.64 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.3 p -139.89 27.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.17 90.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.474 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.402 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 p -100.63 123.75 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -130.55 122.74 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 111.467 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -73.5 133.31 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.338 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.6 t -68.73 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.8 p -104.44 14.25 30.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 44.53 29.7 1.91 Allowed Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.803 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.721 ' C ' HD21 ' A' ' 15' ' ' LEU . 31.6 mtp180 -119.64 -28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.495 0.188 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.453 ' HA ' HD11 ' A' ' 15' ' ' LEU . 42.6 t -162.95 175.04 11.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.947 0.403 . . . . 0.0 111.377 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.8 m -80.99 -5.52 57.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.419 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.18 120.89 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.787 0.327 . . . . 0.0 110.959 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 m -84.93 142.22 38.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.07 172.35 14.08 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.546 2.164 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.17 27.42 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -153.1 141.82 14.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 38.1 Cg_endo . . . . . 0 C--N 1.345 0.369 0 C-N-CA 122.399 2.066 . . . . 0.0 112.487 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.883 0.373 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 -155.33 7.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.37 -19.83 12.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.665 2.243 . . . . 0.0 112.753 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 47.3 t -132.77 55.66 1.88 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.811 0.339 . . . . 0.0 111.365 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -122.91 97.18 5.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.834 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -60.4 85.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 69.74 -65.24 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.82 20.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.129 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -155.71 124.82 6.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.66 0.267 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.792 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.14 132.14 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.031 0.443 . . . . 0.0 111.27 -179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -55.73 168.13 0.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.899 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.06 141.82 65.48 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.56 146.32 36.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.85 79.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.294 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.6 m -118.8 124.46 47.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.21 123.95 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.733 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.06 -27.26 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.41 -74.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 111.49 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 14.5 tptt 55.12 35.09 24.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.792 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 28' ' ' SER . 15.2 t -54.7 177.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -60.75 -22.99 64.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.248 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.592 ' H ' HG23 ' A' ' 25' ' ' THR . 23.1 t -154.26 47.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.899 0.38 . . . . 0.0 111.562 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.895 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.2 87.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 1.4 m -95.69 122.55 38.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -116.56 169.73 9.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.92 153.47 44.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 159.47 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.406 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.0 p -114.94 22.23 13.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.25 26.02 8.85 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.781 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -112.89 -68.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -106.42 171.74 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 9' ' ' CYS . 24.7 m -91.06 8.28 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.34 149.83 24.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.665 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.3 m -93.03 119.2 67.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.014 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.91 163.68 24.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.392 2.061 . . . . 0.0 111.87 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -80.83 57.57 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.524 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -123.02 104.36 35.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.447 2.098 . . . . 0.0 112.188 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.89 -153.47 25.38 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.69 -38.96 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.608 2.205 . . . . 0.0 112.831 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.582 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 42.1 t -108.82 51.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.8 m -129.47 125.52 36.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.986 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.82 68.01 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 70.22 -65.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -146.06 27.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.079 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.23 121.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -47.57 117.95 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.877 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -48.41 145.11 5.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.41 147.59 87.32 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.585 2.19 . . . . 0.0 112.55 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.28 165.68 9.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.1 27.03 50.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.36 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.8 m -130.27 127.47 39.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.291 . . . . 0.0 110.453 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.435 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -53.0 109.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.986 -179.812 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -88.45 -42.3 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.192 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.72 -60.51 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.428 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.55 30.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.323 -179.705 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 HG12 ' A' ' 27' ' ' VAL . 6.2 m -59.8 141.8 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -26.57 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 25' ' ' THR . 12.7 p -96.95 -24.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 126.64 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 111.32 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 72.5 m -113.34 118.23 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -122.91 150.02 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.3 m-85 -98.44 157.22 16.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.398 179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.42 171.62 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 111.222 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -125.06 19.33 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.61 40.97 41.36 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.768 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -122.56 -34.55 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 111.312 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.843 ' HA ' HD11 ' A' ' 15' ' ' LEU . 47.0 t -166.15 171.56 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.734 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -68.28 -31.95 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.783 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.99 115.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.357 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.89 144.58 33.19 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.61 177.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.465 2.11 . . . . 0.0 112.132 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -113.52 31.38 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -158.29 148.18 15.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.835 0.35 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 178.05 17.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.27 -30.35 10.48 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.546 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -90.16 46.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.17 -179.83 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 134.02 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -57.85 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -143.48 9.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.807 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -177.8 -33.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.539 0.209 . . . . 0.0 111.539 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -118.12 155.66 30.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.661 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -56.02 134.18 52.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 179.853 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -54.5 143.82 45.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.641 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.84 117.56 2.84 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.159 . . . . 0.0 112.518 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.5 110.87 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.316 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 23.24 5.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.231 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.6 m -130.28 135.98 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.675 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.36 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.51 25.39 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.113 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.469 ' CZ3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -154.95 -73.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 111.412 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.567 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.8 tttt 46.95 47.54 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.631 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -75.92 61.45 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.56 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 3.0 m 55.46 18.59 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.135 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 28' ' ' SER . 3.8 p 165.88 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.012 0.434 . . . . 0.0 110.612 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.474 ' N ' HG13 ' A' ' 27' ' ' VAL . 59.8 m -82.41 85.61 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.638 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.567 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 18.9 p -112.48 137.55 50.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -143.98 124.99 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' CE1' HG23 ' A' ' 21' ' ' THR . 3.3 m-85 -72.0 130.26 40.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -71.33 156.83 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 p -108.77 13.9 24.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.24 27.92 2.92 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.902 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -116.26 -31.76 5.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 111.222 -179.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 p -153.18 166.37 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 2.5 m -79.84 -6.24 56.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.369 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -82.1 114.52 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.66 147.13 54.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.83 144.23 56.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.401 2.068 . . . . 0.0 112.199 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 p -78.93 -29.85 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -100.05 140.76 21.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.344 0.315 0 C-N-CA 122.419 2.079 . . . . 0.0 112.405 -179.891 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.781 0.324 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.0 28.5 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 32.8 Cg_endo -64.2 -14.49 44.06 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.687 2.258 . . . . 0.0 112.521 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 48.5 t -117.35 47.18 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 142.02 47.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -90.23 44.48 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 71.36 4.71 5.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.586 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.24 -28.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.574 0.226 . . . . 0.0 111.376 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.71 135.72 53.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.93 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -54.54 112.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.646 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.84 146.11 4.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.985 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.09 144.25 92.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.657 2.238 . . . . 0.0 112.654 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.11 171.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.62 18.24 37.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.47 -179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -118.4 129.49 55.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -54.34 128.55 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.724 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 p -108.67 26.21 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.509 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -164.66 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 179.672 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 6.7 ttpt 49.53 28.07 2.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.474 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.82 169.11 12.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.005 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -69.86 -22.39 63.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -94.01 -31.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 1.1 m -151.77 177.79 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.134 0.492 . . . . 0.0 111.614 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 14.7 m -165.47 121.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.346 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 m-70 -131.59 -177.73 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 111.25 -179.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -123.87 167.16 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.31 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.58 169.49 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 111.142 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -122.3 15.31 10.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.29 26.38 4.83 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.886 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 -23.65 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.596 0.236 . . . . 0.0 111.472 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.93 ' HA ' HD11 ' A' ' 15' ' ' LEU . 2.1 m -160.4 152.18 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 110.818 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 29.3 m -82.67 -1.17 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.216 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.24 75.56 7.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.39 . . . . 0.0 110.748 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 46.0 t -47.51 118.19 5.63 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.18 159.43 2.76 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.478 2.118 . . . . 0.0 112.309 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 t -97.66 27.78 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -139.9 138.08 19.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.6 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.816 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.767 0.318 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.61 -155.31 25.27 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.68 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.55 -46.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.784 2.323 . . . . 0.0 113.046 -179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -64.63 -49.45 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 111.271 -179.662 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -80.66 136.18 36.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.83 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -146.32 9.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -38.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -126.81 144.37 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.099 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -52.8 128.84 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.662 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -59.96 156.0 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.48 131.58 38.98 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.487 2.125 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -46.32 161.0 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.46 9.19 73.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.409 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.8 m -113.41 119.48 37.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 3.6 t -45.18 115.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.313 -179.623 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 8.1 p -92.53 33.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.269 -179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.07 -71.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.957 0.408 . . . . 0.0 111.515 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.66 28.29 11.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.64 HG22 HG12 ' A' ' 27' ' ' VAL . 4.7 m -52.87 152.36 3.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 9.1 t -77.35 55.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.64 HG12 HG22 ' A' ' 25' ' ' THR . 6.7 p 166.78 -30.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.18 -74.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.18 117.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.253 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 21' ' ' THR . 9.4 m-70 -130.09 -164.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -178.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.744 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 7.2 m-85 -150.37 136.78 18.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.923 0.392 . . . . 0.0 111.388 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -79.47 145.37 33.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.415 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 3.6 p -102.02 16.49 25.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.72 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 47.27 48.35 20.83 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.674 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.772 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -137.81 -43.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.417 -179.732 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 85.5 p -140.89 162.3 35.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.232 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 43.8 t -77.76 -9.43 59.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -81.74 101.97 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 0.0 111.169 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 50.0 t -67.34 122.23 82.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 39' ' ' CYS . 11.2 Cg_endo -54.68 163.72 3.69 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.478 2.118 . . . . 0.0 112.33 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -97.42 29.11 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -149.66 143.81 17.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.344 0.335 0 C-N-CA 122.553 2.169 . . . . 0.0 112.388 -179.982 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.889 0.376 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.83 175.81 35.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 35.6 Cg_exo -59.96 -43.02 39.62 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.554 2.169 . . . . 0.0 112.241 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -33.55 75.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.933 0.396 . . . . 0.0 110.515 179.62 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 128.04 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.915 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -10.57 55.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 168.52 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.459 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -170.55 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -108.37 131.23 54.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -46.92 117.86 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -47.05 147.1 2.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.22 131.95 44.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.491 2.127 . . . . 0.0 112.272 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -47.86 164.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.52 13.58 60.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.475 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -121.68 124.34 44.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.688 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 12.2 t -48.0 123.77 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -105.86 31.58 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER -174.0 -71.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 111.508 -179.711 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.613 -179.454 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.68 HG22 HG12 ' A' ' 27' ' ' VAL . 10.5 m -57.92 132.63 53.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.725 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -47.88 -27.8 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.68 HG12 HG22 ' A' ' 25' ' ' THR . 11.6 p -96.5 -22.14 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.451 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -158.86 110.17 2.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.876 0.369 . . . . 0.0 111.795 -179.396 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -98.25 133.26 42.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.178 179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.9 m-70 -133.18 173.17 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.333 -179.204 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.688 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.87 137.82 50.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.241 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.8 t -76.37 144.38 40.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.407 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 17.0 p -101.46 17.47 22.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.74 34.62 5.44 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.934 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.616 ' C ' HD13 ' A' ' 15' ' ' LEU . 14.6 ttt85 -118.4 -40.35 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 t -139.71 172.89 12.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -94.3 10.4 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.71 100.76 9.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 33.7 t -57.53 110.9 2.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.77 176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.521 2.148 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.18 27.59 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -153.54 146.7 17.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.416 -179.914 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.36 -151.38 11.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.798 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.35 -43.61 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.928 -179.534 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -72.01 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.559 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 24.4 p -66.5 122.38 17.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -54.09 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -144.03 9.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.937 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.76 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 140.29 51.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.78 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.17 136.89 8.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.792 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -52.52 141.18 34.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.747 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.53 129.63 27.19 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.516 2.144 . . . . 0.0 112.545 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.4 106.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.76 25.13 3.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -126.46 132.83 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.168 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.547 HG21 ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -52.87 116.95 2.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.517 -179.469 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.8 p -97.36 22.84 8.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.42 -72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HG2' HG21 ' A' ' 21' ' ' THR . 2.9 tmtm? 60.89 25.18 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.749 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 27' ' ' VAL . 85.3 m -58.77 142.62 49.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -46.76 -27.86 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.564 ' H ' HG22 ' A' ' 25' ' ' THR . 12.5 p -111.19 -16.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.731 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -145.3 104.85 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.853 0.358 . . . . 0.0 111.892 -179.271 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 4.5 m -107.57 110.51 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.058 178.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -123.36 165.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.642 -178.562 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.6 m-85 -118.97 155.21 31.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 t -90.07 161.72 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 p -116.72 18.32 14.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.14 41.84 11.72 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.761 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -43.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.299 . . . . 0.0 111.3 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -146.11 170.5 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -81.07 -5.38 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.75 104.49 13.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 111.249 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -75.04 123.34 88.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.328 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.89 145.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.649 2.233 . . . . 0.0 112.795 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -96.47 25.57 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -138.11 145.29 47.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 C--N 1.345 0.367 0 C-N-CA 122.539 2.159 . . . . 0.0 112.331 -179.965 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.26 164.63 35.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.8 -28.04 36.86 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.665 2.243 . . . . 0.0 112.5 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.38 -13.86 45.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 110.951 179.487 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -93.95 119.65 33.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.644 179.873 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -59.26 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -117.32 -24.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.936 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.13 34.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -159.22 141.03 13.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.759 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.0 114.54 2.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.96 179.917 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.7 mttp -58.78 140.59 85.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.635 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.8 Cg_exo -60.78 127.06 21.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.368 2.045 . . . . 0.0 112.56 -179.756 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -45.71 118.36 1.78 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.168 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 121.54 3.62 10.19 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.552 -179.603 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 m -113.76 127.11 55.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.766 0.317 . . . . 0.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.3 t -47.75 117.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 6.0 p -99.01 34.38 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -177.11 -71.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.405 . . . . 0.0 111.451 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp 61.3 26.94 16.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.72 -179.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.676 HG22 HG12 ' A' ' 27' ' ' VAL . 5.4 m -59.24 132.29 53.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -48.7 -27.79 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 HG22 ' A' ' 25' ' ' THR . 11.8 p -95.46 -22.8 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -159.04 110.14 2.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 111.584 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -98.15 133.97 41.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.344 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.4 m-70 -134.03 170.66 15.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.141 -179.339 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -127.42 139.87 52.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.023 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.38 141.15 43.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 110.438 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.475 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.1 p -103.18 20.05 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.19 28.23 1.94 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.908 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.649 ' C ' HD21 ' A' ' 15' ' ' LEU . 4.5 ttm-85 -106.34 -31.81 8.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.759 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.8 m -155.28 171.36 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.75 ' SG ' HD12 ' A' ' 15' ' ' LEU . 10.3 m -93.31 9.75 34.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -109.87 91.6 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.402 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 16.6 t -46.25 132.96 7.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 38.3 Cg_endo -66.57 173.88 7.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.553 2.169 . . . . 0.0 112.385 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -100.14 30.36 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 14.7 p90 -138.35 148.15 58.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.184 . . . . 0.0 112.321 -179.968 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.25 171.61 39.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.709 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.61 -25.86 61.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.873 2.382 . . . . 0.0 112.692 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -91.03 -25.3 19.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.306 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 110.86 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.629 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -69.36 -11.38 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.477 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 169.96 -27.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.676 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -173.6 -29.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.338 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -111.39 130.52 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 0.0 110.575 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.818 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.45 124.85 3.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 111.174 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -49.4 146.78 6.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.3 126.7 18.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.189 . . . . 0.0 112.529 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -47.8 149.23 1.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.151 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.13 4.69 84.07 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.685 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.2 m -111.5 112.46 24.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -56.36 119.26 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -94.95 -36.37 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.474 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -84.69 -77.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.182 -178.642 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 tptt 59.47 22.96 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.544 -179.045 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.809 HG23 ' H ' ' A' ' 28' ' ' SER . 9.0 t -52.95 163.31 0.51 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -84.26 57.23 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.221 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p 177.54 -32.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.406 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.809 ' H ' HG23 ' A' ' 25' ' ' THR . 4.1 t -155.38 93.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.239 -179.493 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 25.6 p -80.87 158.44 25.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.653 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 38.1 m-70 -147.63 172.22 14.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.968 0.413 . . . . 0.0 111.631 -179.393 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -126.35 133.38 51.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.57 179.863 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 144.14 49.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.742 0.306 . . . . 0.0 110.426 179.826 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -101.19 20.54 15.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 47.08 27.57 3.65 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.849 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.8 mmt85 -130.65 -53.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.03 0.443 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -98.04 155.9 16.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -95.62 12.37 29.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 12.2 pt-20 -133.25 113.09 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.836 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -45.88 142.13 3.93 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.32 178.07 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.622 2.215 . . . . 0.0 112.445 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -96.19 25.83 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -153.09 144.6 16.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.684 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.349 -179.892 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.956 0.407 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.94 167.48 37.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.404 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.6 -24.17 60.87 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.625 2.217 . . . . 0.0 112.512 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.85 -27.13 40.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.77 179.734 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 138.51 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -86.99 -33.68 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 173.56 4.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.931 179.849 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' H ' ' H ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 175.19 -34.73 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.696 0.284 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -126.56 145.62 50.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -54.69 127.11 26.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -53.36 163.05 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.4 134.0 32.0 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.516 2.144 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.05 139.96 21.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.89 21.49 59.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.326 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.3 m -125.24 123.59 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.621 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.49 127.66 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.804 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 14.1 p -115.25 -42.97 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -83.46 -71.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.356 -179.491 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttm 55.39 30.11 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.727 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 26' ' ' SER . 85.5 m -50.19 162.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 22.9 t -80.13 53.45 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.842 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.1 p 168.99 -33.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -137.32 103.16 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -99.22 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.4 m170 -118.36 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.234 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.621 ' CE1' HG23 ' A' ' 21' ' ' THR . 23.3 m-85 -138.5 166.86 23.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.93 148.99 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.463 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -108.18 21.78 16.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.27 6.94 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.734 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.694 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.6 tpt180 -115.18 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 p -123.37 172.98 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -94.64 11.41 31.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.6 106.43 13.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -51.71 145.49 15.91 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 69.0 Cg_endo -74.16 178.61 6.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.568 2.178 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -97.71 28.28 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 13.0 p90 -137.13 145.13 48.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.74 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 17.7 Cg_endo . . . . . 0 C--N 1.345 0.343 0 C-N-CA 122.44 2.093 . . . . 0.0 112.443 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 -167.38 34.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.95 -47.25 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.654 2.236 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.08 -70.0 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -55.11 127.08 27.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 7.9 ptt85 -58.33 -28.46 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 14.7 tt0 173.45 -30.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.072 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.67 23.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -166.92 116.93 0.88 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.722 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.27 117.56 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -43.67 152.69 0.43 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.47 128.9 23.62 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.07 25.85 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.313 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -136.22 136.61 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.75 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.18 126.03 25.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.763 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.1 p -108.84 -29.63 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.315 -179.663 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.5 -73.43 0.67 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.744 -179.294 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 57.37 30.53 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.656 -179.321 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' SER . 12.3 t -53.61 172.38 0.07 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -18.26 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.183 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.675 ' H ' HG23 ' A' ' 25' ' ' THR . 22.6 t -153.94 47.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.566 -179.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.909 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 170.79 91.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -98.5 115.59 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -119.52 147.85 43.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CE1' HG23 ' A' ' 21' ' ' THR . 21.2 m-85 -100.8 153.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.22 147.27 26.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 p -106.99 19.11 20.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.3 48.39 15.78 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.698 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -43.01 1.0 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.676 0.274 . . . . 0.0 111.509 -179.655 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -159.76 174.49 14.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.1 -21.27 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.187 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.59 101.64 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -77.14 147.61 76.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -50.93 165.8 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.579 2.186 . . . . 0.0 112.394 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.87 31.36 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -149.11 149.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--N 1.344 0.339 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.989 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.888 0.375 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -169.09 27.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.76 -19.49 41.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.546 2.164 . . . . 0.0 112.609 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 41.8 t -100.83 -34.85 9.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 179.793 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 143.13 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.68 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -107.34 -85.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -100.52 -32.22 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.59 35.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.928 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -168.87 125.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.509 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.803 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.52 128.5 5.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.129 0.49 . . . . 0.0 111.372 -179.664 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -51.02 162.82 0.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 140.68 93.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.59 159.34 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.83 26.44 65.22 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.116 -179.674 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -125.1 130.81 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.98 114.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.872 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 3.0 p -107.15 34.95 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 1.6 t90 -167.05 -70.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.713 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.28 31.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.454 . . . . 0.0 110.899 -179.354 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -50.52 172.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.062 -179.873 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 58.3 m -82.56 53.72 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.711 179.803 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.1 p 175.52 -35.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.669 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -142.36 133.58 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.227 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 54.7 p -117.8 113.47 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.481 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.7 m170 -113.4 166.42 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.601 -179.094 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 21' ' ' THR . 8.7 m-85 -116.63 155.43 28.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.76 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -123.19 16.39 9.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.49 25.36 13.19 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.782 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -117.67 -43.03 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 155.38 49.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.0 m -82.94 -0.18 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -90.8 90.49 7.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 t -47.63 116.09 4.23 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 42' ' ' TYR . 80.9 Cg_exo -47.96 171.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.53 2.154 . . . . 0.0 112.551 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -97.83 26.44 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 40' ' ' PRO . 11.0 p90 -127.64 145.49 55.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo . . . . . 0 C--N 1.345 0.372 0 C-N-CA 122.513 2.142 . . . . 0.0 112.403 -179.857 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.953 0.406 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.56 165.94 37.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.8 Cg_endo -54.45 -25.34 39.65 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.562 2.175 . . . . 0.0 112.422 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -95.74 18.02 13.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 178.94 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.88 118.93 27.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.665 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.28 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 7.6 tt0 -115.59 -28.31 6.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.947 0.403 . . . . 0.0 110.286 179.292 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 43.2 t 175.4 38.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.829 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -155.2 118.73 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.813 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.7 tt -45.58 113.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -50.82 143.14 15.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.27 123.92 12.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.513 2.142 . . . . 0.0 112.521 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -44.66 150.62 0.33 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.86 17.54 80.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.6 m -127.62 121.08 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.515 179.897 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 8.0 t -51.12 126.52 16.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.056 0.455 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.31 -39.59 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.997 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.2 t90 -86.38 -74.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.777 -179.075 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 56.28 23.94 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.505 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.789 HG23 ' H ' ' A' ' 28' ' ' SER . 10.2 t -54.67 167.16 0.38 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.3 m -84.2 56.73 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.212 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p 178.1 -34.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.343 179.759 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.789 ' H ' HG23 ' A' ' 25' ' ' THR . 4.5 t -153.0 99.95 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 -179.607 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.413 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 18.4 m -86.01 154.76 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.671 179.577 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' C ' ' A' ' 29' ' ' SER . 23.9 m-70 -143.87 -172.2 3.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.832 0.348 . . . . 0.0 111.223 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 4.9 m-85 -141.36 126.48 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -68.98 140.64 55.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.595 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.443 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 13.2 p -99.85 19.27 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.741 -179.888 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.691 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 46.06 27.33 2.48 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.89 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.813 ' C ' HD11 ' A' ' 15' ' ' LEU . 6.2 mtt85 -114.81 -28.43 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.729 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.0 t -146.69 171.39 15.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.629 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 2.2 m -102.25 17.74 22.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -126.27 103.81 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 8' ' ' PRO . 33.6 m -53.65 143.64 37.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.348 -179.779 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.85 178.17 7.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.624 2.216 . . . . 0.0 112.168 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -98.04 35.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.54 144.07 15.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 122.531 2.154 . . . . 0.0 112.324 -179.975 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.803 0.335 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.49 -177.93 34.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.4 -24.13 37.18 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.773 2.315 . . . . 0.0 112.724 -179.81 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 50.9 t -107.5 53.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.428 . . . . 0.0 111.157 -179.832 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.38 115.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.006 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 46.18 87.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.504 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.4 m 34.85 53.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.26 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -153.1 114.0 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.764 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.6 mt -47.09 106.11 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.472 179.772 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -56.71 145.33 62.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.303 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.43 131.91 22.72 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.511 2.141 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -49.56 163.45 0.12 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.74 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.69 9.22 65.06 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.5 m -116.3 118.25 32.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.686 0.279 . . . . 0.0 110.507 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' THR . 9.5 t -43.66 96.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.985 0.421 . . . . 0.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' HIS . 8.3 p -60.63 -38.87 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.325 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -105.46 -72.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.449 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.59 ' HG3' HG21 ' A' ' 21' ' ' THR . 6.8 tttt 71.84 24.63 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 27' ' ' VAL . 98.1 m -62.17 148.23 45.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 179.808 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -47.16 -28.59 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.593 -179.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.56 ' H ' HG22 ' A' ' 25' ' ' THR . 12.5 p -119.13 -27.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.747 -179.699 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -118.36 92.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.839 -179.194 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.44 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -100.69 123.32 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.746 178.805 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 29' ' ' SER . 5.3 m-70 -137.07 146.52 45.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.991 -178.856 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-30 -98.88 137.2 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 143.22 56.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -94.07 10.47 33.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 44.8 56.1 5.94 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.921 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -169.04 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -133.66 162.51 31.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 111.347 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 28.4 m -82.79 -19.33 37.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.35 138.0 57.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.1 m -107.12 129.76 23.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.003 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.84 178.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.384 2.056 . . . . 0.0 112.103 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -109.19 30.9 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -160.69 146.96 11.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 C--N 1.344 0.321 0 C-N-CA 122.564 2.176 . . . . 0.0 112.397 -179.949 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.989 0.423 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.23 -166.88 20.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.32 -9.45 21.73 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.629 2.219 . . . . 0.0 112.839 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 51.3 t -118.84 -23.31 7.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.64 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.27 137.85 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -121.26 93.51 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 77.86 -57.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -174.9 32.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -161.68 118.3 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.622 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -45.94 120.13 2.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.758 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -46.24 168.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.18 145.82 79.67 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.614 2.21 . . . . 0.0 112.423 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -60.14 154.93 18.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 179.533 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.93 18.9 69.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.401 -179.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.2 m -117.56 124.31 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.417 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.868 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -50.06 123.94 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 111.005 -179.762 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 23.6 p -111.11 -35.53 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.31 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 -73.26 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.437 -179.571 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.4 tttp 61.45 37.77 16.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.02 173.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.9 p -139.44 39.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.66 -75.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 -179.886 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 43.8 m 53.72 97.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.186 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 6.0 m-70 -131.73 132.61 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.134 -179.306 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.868 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.4 m-85 -85.77 160.84 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 162.98 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.673 179.778 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.462 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.5 p -117.78 20.51 13.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 26.74 5.87 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.785 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.76 -36.28 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.596 ' HA ' HD22 ' A' ' 15' ' ' LEU . 35.5 m -139.39 171.39 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -91.63 8.11 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 159.0 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.731 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.8 m -104.41 135.33 19.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 39' ' ' CYS . 51.8 Cg_exo -54.99 177.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.199 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -101.74 24.69 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -149.2 147.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 -179.947 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.92 -162.14 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.24 -25.03 7.47 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.738 2.292 . . . . 0.0 113.031 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 53.7 t -114.82 69.4 0.72 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.76 0.314 . . . . 0.0 111.376 -179.782 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.06 7.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -137.31 6.17 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.58 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.1 t 177.66 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.044 179.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -112.52 141.29 46.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HA ' ' A' ' 36' ' ' SER . 1.7 pp -50.81 127.55 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.739 ' O ' HD12 ' A' ' 15' ' ' LEU . 7.1 mttt -47.28 160.45 0.36 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.403 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -74.66 152.07 42.1 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.794 2.329 . . . . 0.0 113.037 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.25 166.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.002 179.45 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.53 18.08 35.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -126.34 114.51 18.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.755 HG21 ' HD3' ' A' ' 24' ' ' LYS . 14.3 t -49.63 115.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.88 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.5 p -90.16 -30.5 17.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -179.756 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -75.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.321 -179.622 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.755 ' HD3' HG21 ' A' ' 21' ' ' THR . 4.7 tptt 59.4 27.82 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 28' ' ' SER . 6.7 t -55.79 168.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.483 179.777 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.36 57.51 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.358 -179.532 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.5 p 177.14 -35.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.433 179.697 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.783 ' H ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.4 -79.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.366 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 25' ' ' THR . 1.2 m 79.2 119.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.311 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -135.3 172.64 12.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.679 -178.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -122.93 126.36 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.276 179.51 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.6 153.87 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 111.186 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.497 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.1 p -109.97 21.28 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.509 179.759 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.529 ' C ' HD11 ' A' ' 15' ' ' LEU . . . 47.34 27.9 4.27 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.825 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -103.02 -32.73 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.74 ' HA ' HD22 ' A' ' 15' ' ' LEU . 30.6 t -163.3 170.91 16.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.96 -21.36 61.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.23 130.88 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.3 m -95.95 142.87 25.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.96 177.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.177 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -111.47 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -148.52 146.3 22.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 C--N 1.345 0.346 0 C-N-CA 122.466 2.111 . . . . 0.0 112.348 -179.976 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.734 0.302 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -153.33 20.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.763 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.07 -50.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.791 2.327 . . . . 0.0 113.219 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -49.71 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -179.47 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -81.98 127.09 32.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -54.96 -81.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.46 8.72 1.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.694 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.58 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -121.37 129.46 53.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -50.13 117.7 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.703 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -48.47 138.43 11.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.59 140.01 75.74 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.616 2.21 . . . . 0.0 112.381 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.96 149.05 0.94 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.05 9.23 85.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.374 -179.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -109.88 116.06 30.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 4.2 t -43.12 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.427 -179.635 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 p -64.09 -17.25 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.454 -179.721 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -76.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.815 -179.671 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG3' HG21 ' A' ' 21' ' ' THR . 4.8 tttt 66.96 22.75 10.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.417 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 28' ' ' SER . 12.2 t -54.67 174.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.609 ' O ' HG13 ' A' ' 27' ' ' VAL . 89.1 p -83.85 12.35 6.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.907 -179.542 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.82 ' H ' HG23 ' A' ' 25' ' ' THR . 2.9 m -160.86 28.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.627 0.251 . . . . 0.0 111.381 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.929 ' O ' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER 168.15 92.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.073 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -95.64 132.81 40.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.719 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' O ' ' HA ' ' A' ' 21' ' ' THR . 7.6 m-70 -126.64 -160.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 11.0 m-85 -154.95 130.24 9.67 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.99 148.99 41.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 p -104.08 18.68 21.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 48.58 17.58 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.82 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -133.67 -44.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.854 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.89 174.49 10.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.821 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.8 t -80.4 -3.22 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.7 121.49 25.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -91.68 115.77 65.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -43.34 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.628 2.218 . . . . 0.0 112.682 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.3 p -104.33 27.27 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -146.5 147.33 30.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo . . . . . 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.323 -179.955 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 166.64 36.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.25 -21.3 43.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -90.31 -33.07 16.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 110.71 179.836 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 117.47 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.796 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -64.12 -16.66 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 169.14 -29.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.908 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.78 148.27 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.643 179.792 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.733 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -53.12 125.11 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.911 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -52.79 159.76 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 131.21 26.43 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.537 2.158 . . . . 0.0 112.367 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.03 116.55 1.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 16.12 7.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -120.58 136.5 54.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.663 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.71 124.7 20.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -179.634 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.6 p -109.04 25.16 12.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -73.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.542 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 5.5 ttpm? 63.23 32.49 14.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.63 -179.697 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 28' ' ' SER . 14.1 m -67.56 165.06 17.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.817 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 25' ' ' THR . 1.5 m -66.79 -26.58 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.702 -179.454 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.2 p -131.09 34.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -148.95 -75.49 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.845 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 53.7 m 51.69 98.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.798 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.0 m-70 -130.2 173.58 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.476 -178.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 21' ' ' THR . 26.7 m-85 -129.66 159.34 36.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.047 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 153.38 21.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -111.64 23.26 14.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 28.83 7.51 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.733 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -109.05 -64.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 111.041 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 p -128.95 171.9 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.6 m -87.08 3.4 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -92.93 92.47 7.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.65 126.49 13.24 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.746 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 12.4 Cg_endo -56.12 159.8 11.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 112.499 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -97.51 25.38 5.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 38.4 p90 -139.67 147.42 51.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.343 0.276 0 C-N-CA 122.54 2.16 . . . . 0.0 112.298 -179.924 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.89 0.376 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 179.94 39.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.75 -14.69 13.89 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.701 2.268 . . . . 0.0 113.314 -179.467 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 1.2 t -100.67 21.47 13.38 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' HD22 ' A' ' 15' ' ' LEU . 60.8 m -132.39 135.11 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 179.707 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -54.83 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 5.4 tt0 -145.65 6.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 45.3 t 177.17 -30.62 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -112.41 154.08 26.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.352 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.85 HD11 ' O ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -59.68 120.89 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.624 179.696 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -55.3 146.13 43.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.36 131.84 35.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.515 2.143 . . . . 0.0 112.408 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.38 154.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.61 20.6 77.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.343 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -127.69 131.54 49.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.992 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.66 140.59 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -140.99 26.92 2.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.508 -179.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.2 t90 -157.95 -65.72 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 6.0 ptpp? 45.81 47.77 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.14 0.495 . . . . 0.0 110.486 -179.252 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 25' ' ' THR . 98.6 m -67.21 64.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.463 -179.365 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m 72.29 -57.01 0.64 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.23 0.538 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 28' ' ' SER . 8.1 p -129.01 -40.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -76.0 87.5 2.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.72 179.792 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.42 110.5 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.698 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -110.78 125.16 53.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.309 -179.179 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.992 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.2 m-85 -80.66 151.5 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.25 153.09 32.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 p -105.2 12.88 31.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.617 179.41 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 55.22 7.11 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.77 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -160.08 -41.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.695 -179.744 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.85 ' O ' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -132.21 153.59 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 111.458 -179.596 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.67 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.71 -12.62 61.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.078 179.715 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -87.6 108.34 19.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.977 -179.884 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.19 148.2 95.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.751 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 54.0 Cg_exo -52.0 177.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.53 2.153 . . . . 0.0 112.237 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -117.57 36.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 44.4 p90 -152.93 148.29 20.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--N 1.344 0.293 0 C-N-CA 122.588 2.192 . . . . 0.0 112.263 -179.953 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.834 0.349 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.87 -152.51 8.48 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.43 -45.9 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.572 2.182 . . . . 0.0 112.246 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -72.03 -35.65 69.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.048 0.452 . . . . 0.0 110.529 179.631 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -69.19 168.47 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -167.59 -66.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 26.5 mt-30 -98.05 19.44 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.827 179.563 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 82.92 31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.405 -179.296 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -154.05 112.62 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.26 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.791 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.45 118.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.164 0.507 . . . . 0.0 111.994 -179.396 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -46.2 151.11 0.98 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.93 143.15 99.7 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.69 22.95 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -124.21 123.51 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -55.19 113.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.736 179.908 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 29.0 p -95.07 -40.72 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.36 -179.449 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -99.19 -58.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.305 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.2 30.2 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.199 -179.618 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.546 HG22 HG12 ' A' ' 27' ' ' VAL . 6.4 m -62.91 141.01 58.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -54.3 -30.71 51.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 HG22 ' A' ' 25' ' ' THR . 12.1 p -89.92 -28.44 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -156.13 107.74 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.539 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -98.89 122.42 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -122.14 -170.42 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CE1' HG23 ' A' ' 21' ' ' THR . 9.6 m-85 -142.46 157.13 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.72 179.864 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.8 148.21 24.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.764 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.6 p -103.95 15.98 27.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 33.92 6.75 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.937 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 -46.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.369 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 172.59 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.799 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 94.0 m -103.97 17.98 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -112.94 98.88 7.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.755 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.8 137.54 83.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 177.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.404 2.069 . . . . 0.0 112.178 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -111.72 37.69 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -162.6 149.52 10.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--N 1.344 0.302 0 C-N-CA 122.565 2.177 . . . . 0.0 112.339 179.96 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.839 0.352 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.84 166.78 15.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.624 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HG2' ' HB3' ' A' ' 39' ' ' CYS . 46.6 Cg_endo -68.61 -8.97 24.75 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.756 2.304 . . . . 0.0 112.915 -179.805 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -102.01 42.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.807 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -176.89 131.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 106.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.05 179.352 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 70.37 -68.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 109.849 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -163.85 31.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.474 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.56 116.3 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 36' ' ' SER . 16.0 mt -44.44 100.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.797 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 140.16 69.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.64 135.69 58.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.519 2.146 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.2 164.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.48 17.04 56.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.401 -179.638 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -120.69 136.14 54.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.442 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -56.92 128.02 34.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.345 -179.569 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.1 p -109.98 24.19 13.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.961 179.662 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -165.1 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.565 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 55.44 33.38 20.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.728 -179.616 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' SER . 15.3 t -52.77 177.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -61.5 -22.76 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.272 -179.147 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.598 ' H ' HG23 ' A' ' 25' ' ' THR . 23.1 t -154.24 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.811 0.339 . . . . 0.0 111.575 -179.5 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.909 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.11 86.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.056 179.837 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -94.41 130.26 40.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.793 179.825 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 21' ' ' THR . 9.9 m-70 -122.8 -176.72 3.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -131.97 155.72 47.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.09 -179.725 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.08 150.68 23.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.7 t -109.26 16.51 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.743 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.4 37.34 8.3 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.86 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 33' ' ' THR . 77.5 mtt180 -118.13 -39.25 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 -179.737 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.66 ' HA ' HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -149.26 170.45 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.76 -10.24 59.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.377 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.64 119.43 21.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.408 ' HB3' ' HG2' ' A' ' 8' ' ' PRO . 53.8 t -86.3 113.7 53.64 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 91.0 Cg_exo -44.02 163.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.662 2.242 . . . . 0.0 112.672 -179.742 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 1.6 m -101.0 29.42 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 40' ' ' PRO . 16.2 p90 -133.87 146.79 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 C--N 1.345 0.375 0 C-N-CA 122.584 2.189 . . . . 0.0 112.376 179.982 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 120.959 0.409 . . . . 0.0 112.089 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.61 -147.67 5.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.507 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.42 -20.59 5.79 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.772 2.315 . . . . 0.0 113.209 -179.552 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -106.3 41.24 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.817 0.341 . . . . 0.0 111.467 -179.49 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 p 176.66 177.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.777 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 179.94 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.41 6.16 24.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t 68.08 44.64 1.43 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -167.55 51.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 111.197 179.609 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.851 HD21 ' HA ' ' A' ' 36' ' ' SER . 0.1 OUTLIER 39.54 105.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.329 179.248 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.21 146.08 3.27 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.997 179.422 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.01 139.09 77.11 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.565 2.177 . . . . 0.0 112.513 -179.798 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 169.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.78 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.76 19.79 44.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.411 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.5 m -118.5 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -57.22 127.69 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.764 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -110.94 28.09 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.47 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.99 0.424 . . . . 0.0 111.137 179.74 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttt 51.49 26.84 3.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 -179.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 172.72 1.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.014 -179.784 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -20.1 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.84 -27.62 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.365 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.607 ' HB3' ' CE3' ' A' ' 23' ' ' TRP . 11.1 t -148.61 -170.14 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.098 0.475 . . . . 0.0 111.738 -179.088 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p 179.55 122.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.305 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -131.71 -167.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.083 -179.23 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.99 162.09 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.18 156.19 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 p -112.26 16.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.95 48.97 18.49 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.839 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -138.31 -45.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.232 -179.809 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.851 ' HA ' HD21 ' A' ' 15' ' ' LEU . 1.9 m -142.3 165.45 27.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 54.1 m -83.82 -1.13 53.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.471 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.86 83.16 6.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.3 t -57.93 136.24 83.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.03 147.35 5.15 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.567 2.178 . . . . 0.0 112.62 -179.764 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.73 18.07 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -144.08 144.3 25.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.467 2.111 . . . . 0.0 112.393 -179.921 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 179.82 19.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.03 -23.58 15.9 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.654 2.236 . . . . 0.0 112.574 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -100.89 47.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.005 0.431 . . . . 0.0 111.041 -179.891 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 130.8 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -58.3 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 1.7 tm0? -142.74 7.0 1.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.725 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 50.6 t 177.09 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.241 . . . . 0.0 111.379 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -115.04 157.02 24.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 110.975 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 36' ' ' SER . 2.3 mt -58.06 128.67 38.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.657 179.811 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -52.7 145.74 20.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.636 179.883 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.14 122.07 10.97 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.128 . . . . 0.0 112.3 -179.861 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.75 1.88 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.36 25.86 64.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.182 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -131.2 136.83 48.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.298 . . . . 0.0 110.645 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.987 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.05 124.95 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.805 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.5 p -104.32 -41.0 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 -179.824 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -72.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 111.242 -179.801 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 62.66 30.93 16.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.857 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 26' ' ' SER . 1.6 m -64.29 172.61 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 179.742 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 25' ' ' THR . 0.7 OUTLIER -86.75 46.83 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.6 p 173.42 -35.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -76.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.129 -179.7 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 71.0 m 59.48 97.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.976 -179.805 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.1 m-70 -131.31 169.89 15.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.292 -179.182 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.987 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.7 m-85 -118.26 159.33 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.663 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 149.84 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 p -109.36 17.72 21.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.61 179.489 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 49.78 16.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.765 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.5 ttt180 -138.3 -45.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.428 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.524 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -140.28 162.56 34.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.733 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 1.7 m -78.42 -7.42 57.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.376 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.25 102.16 12.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -62.11 144.89 93.99 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -51.77 171.22 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.4 m -111.13 23.76 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -149.7 146.2 20.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.761 179.891 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 122.5 2.133 . . . . 0.0 112.343 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.0 mtm -140.55 94.68 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -100.24 32.28 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 m -90.57 -27.03 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.91 66.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.944 0.402 . . . . 0.0 110.777 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 145.07 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 176.95 33.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.04 -28.54 19.04 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.421 2.08 . . . . 0.0 112.168 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.59 -15.72 57.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 179.246 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -97.22 114.68 26.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.583 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -54.67 -23.89 19.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 167.75 -31.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.795 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -177.57 34.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.716 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -156.53 116.73 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.588 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.859 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.6 tt -46.46 107.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -51.92 149.14 9.44 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.61 131.57 30.01 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.562 2.175 . . . . 0.0 112.403 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -51.53 154.51 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.073 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.78 24.54 72.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.352 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.7 m -124.4 125.96 45.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.973 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.19 112.28 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.791 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.1 p -99.41 -41.95 7.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.9 OUTLIER -91.06 -70.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 tttt 58.21 28.91 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -59.31 135.18 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 p -52.69 -34.81 53.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -87.02 -19.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -163.78 115.07 1.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.954 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 p -102.49 132.59 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.7 m-70 -132.18 -168.52 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.9 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.973 ' CE2' HG23 ' A' ' 21' ' ' THR . 7.1 m-85 -149.59 155.52 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.784 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.66 146.2 23.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.482 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.454 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 19.7 p -107.06 21.62 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.736 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.614 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 47.87 27.29 4.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.859 ' C ' HD11 ' A' ' 15' ' ' LEU . 31.6 mtt85 -114.99 -27.9 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.707 0.289 . . . . 0.0 111.254 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.574 ' N ' HD11 ' A' ' 15' ' ' LEU . 29.0 t -147.27 173.76 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -102.23 17.63 22.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -127.12 104.84 8.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.2 m -51.42 145.83 13.62 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.44 173.88 10.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.581 2.187 . . . . 0.0 112.287 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 p -97.81 25.79 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -143.84 148.3 41.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.33 136.77 29.62 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.534 2.156 . . . . 0.0 112.29 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -100.3 75.31 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -137.7 31.39 2.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.869 0.366 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.7 tpp -131.86 35.61 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -85.97 156.4 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.721 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -104.66 -13.54 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 4' ' ' CYS . 0.7 OUTLIER 60.15 130.33 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.978 0.418 . . . . 0.0 110.952 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -140.3 161.32 37.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.44 -158.8 27.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.399 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -73.29 -23.98 17.19 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.581 2.187 . . . . 0.0 112.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.7 OUTLIER -97.16 -33.83 11.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.844 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' SG ' HG23 ' A' ' 5' ' ' THR . 3.8 m -99.86 159.13 15.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -174.66 -42.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 18.2 mt-30 -94.2 14.84 18.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 26.0 t 76.9 27.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.5 105.38 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.33 117.77 0.74 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 8.0 mtmt -42.46 146.17 0.73 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.413 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 40.9 Cg_exo -56.43 136.18 74.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.561 2.174 . . . . 0.0 112.494 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.44 114.02 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.68 18.73 5.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.453 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.3 m -128.21 135.64 49.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.412 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.65 130.62 32.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 31.4 p -110.22 -27.97 8.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -71.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 111.343 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp 55.37 32.82 19.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 28' ' ' SER . 14.5 t -55.22 177.4 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.4 t -62.11 -21.75 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.195 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.586 ' H ' HG23 ' A' ' 25' ' ' THR . 22.7 t -154.16 47.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.881 0.372 . . . . 0.0 111.619 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.908 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 174.44 86.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.062 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.9 m -94.3 133.2 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -134.78 155.96 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -107.0 155.76 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 153.13 17.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.419 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 11.8 p -112.58 19.38 17.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.5 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' HD12 ' A' ' 15' ' ' LEU . . . 46.49 49.02 16.35 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.735 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.04 -46.34 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.865 0.364 . . . . 0.0 111.312 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -153.31 173.75 15.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 37.7 m -72.71 -19.61 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.255 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.81 118.03 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.14 141.68 31.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.76 171.42 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.442 2.095 . . . . 0.0 112.259 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -105.31 26.32 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -160.16 141.9 9.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.96 -74.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.514 2.142 . . . . 0.0 112.385 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.22 68.82 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -30.87 69.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.468 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.6 ttt -166.18 -65.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 t70 63.77 134.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.6 m 61.54 118.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 6' ' ' THR . 17.8 m -57.43 165.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.682 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -145.12 136.67 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.99 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.09 169.64 30.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.51 -27.37 68.54 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.684 2.256 . . . . 0.0 112.243 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.5 t -86.92 -28.68 22.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 143.2 37.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -78.55 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.703 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -130.46 -0.58 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.685 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 t -179.54 -36.67 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.691 0.281 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -126.44 150.32 48.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.79 0.328 . . . . 0.0 110.742 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.773 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.42 142.61 4.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -60.48 163.76 8.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.69 130.18 32.26 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.492 2.128 . . . . 0.0 112.272 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.79 153.64 0.39 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.174 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.73 17.19 78.05 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.224 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.1 m -121.01 119.6 32.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.51 134.16 55.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.9 p -107.8 -36.67 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.277 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.496 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -93.98 -69.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 111.333 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 52.06 26.91 4.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.89 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.919 HG22 ' O ' ' A' ' 28' ' ' SER . 11.6 t -59.65 177.51 0.21 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -64.41 -20.11 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.391 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 27' ' ' VAL . 18.2 t -153.38 45.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.919 ' O ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER 172.16 87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.286 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 83.9 p -105.97 135.57 47.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -136.06 157.27 47.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -110.66 160.94 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.74 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.0 m -92.7 148.38 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -109.27 20.58 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.511 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.97 31.92 5.91 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 mtp-105 -125.27 -42.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.8 t -141.46 163.06 33.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.6 m -92.05 8.32 38.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.87 101.28 12.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.822 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.1 m -57.68 135.05 82.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 178.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.448 2.098 . . . . 0.0 112.286 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 p -109.42 29.69 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -162.2 144.19 8.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.707 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.51 112.75 3.61 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.5 2.134 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.12 117.27 5.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.5 -46.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.546 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.82 0.343 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 21.9 mtm -163.64 -177.61 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t70 60.39 169.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.6 m -62.5 163.11 9.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 37' ' ' CYS . 68.6 m -165.48 93.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -45.26 96.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.299 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.78 -164.47 11.07 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.653 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.99 -5.12 16.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.783 2.322 . . . . 0.0 113.137 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -108.49 -36.36 6.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.751 0.31 . . . . 0.0 111.1 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.0 m -99.96 114.45 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 111.178 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -115.47 -12.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 14.4 mt-30 -136.89 13.23 3.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER 80.13 36.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.881 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 15' ' ' LEU . 15.9 tttm -158.66 84.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.775 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -18.09 125.6 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.253 -179.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -47.42 144.34 4.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.52 125.68 12.86 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.59 2.193 . . . . 0.0 112.613 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.31 123.8 10.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.038 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.69 22.3 24.11 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.234 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -129.59 142.68 50.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.715 0.293 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.875 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.45 139.28 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.999 0.428 . . . . 0.0 111.153 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.5 p -128.07 -40.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.302 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' THR . 0.7 OUTLIER -112.44 42.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.714 -179.223 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -67.58 66.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.887 0.375 . . . . 0.0 110.743 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 28' ' ' SER . 10.1 t -77.48 174.07 11.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -64.2 -21.35 66.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.503 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.8 p -131.97 34.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 111.498 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.53 ' HB3' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER 177.63 173.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 59.0 p -178.85 117.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.736 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -120.82 158.25 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.875 ' CE2' HG23 ' A' ' 21' ' ' THR . 2.9 m-85 -104.72 129.24 52.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 153.04 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.736 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 p -105.02 18.82 21.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.04 39.33 11.66 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.852 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -136.16 -57.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 t -115.67 171.71 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.705 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 4.4 m -103.74 17.65 23.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -108.27 104.54 13.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.83 133.73 95.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.791 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.22 178.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.435 2.09 . . . . 0.0 112.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.73 30.86 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.65 144.53 14.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.763 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.67 138.12 28.65 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.505 2.137 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.83 175.56 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 60.24 78.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.56 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.833 0.349 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.4 mtp -64.1 177.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -103.88 78.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 4.5 p -57.52 147.56 26.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 37' ' ' CYS . 86.7 m -116.92 98.47 6.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.376 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.92 95.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.287 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.58 -157.96 9.15 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.683 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.8 Cg_endo -68.95 -53.3 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.675 2.25 . . . . 0.0 112.792 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -61.22 -30.44 70.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.955 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.86 136.49 34.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -94.56 -71.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.417 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 10.2 mt-30 -119.54 -25.82 5.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.947 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 53.3 t 161.16 47.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.114 0 C-N-CA 123.05 0.54 . . . . 0.0 109.619 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -166.69 127.82 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -47.67 116.84 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.891 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -50.32 143.82 12.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.631 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.51 124.07 14.86 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.359 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.56 160.12 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.7 23.52 65.32 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.163 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -124.53 126.45 45.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.487 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.566 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -52.14 113.08 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.293 -179.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.72 24.43 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.445 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -166.65 -73.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.719 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttt 60.49 28.59 18.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.613 HG22 HG12 ' A' ' 27' ' ' VAL . 98.6 m -53.83 155.93 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 18.8 t -77.68 55.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 25' ' ' THR . 8.0 p 170.15 -33.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -139.16 103.31 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.936 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 t -98.68 129.76 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.474 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 4.1 m-70 -126.42 -172.79 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.303 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CE2' HG23 ' A' ' 21' ' ' THR . 11.3 m-85 -149.62 141.75 24.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.96 146.46 35.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 p -100.21 16.92 22.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.18 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.57 27.06 4.14 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.655 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -141.65 18.8 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.748 0.308 . . . . 0.0 111.094 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.922 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -177.47 156.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.664 ' SG ' HD23 ' A' ' 15' ' ' LEU . 1.5 m -101.93 17.09 24.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.818 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -114.84 93.72 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 17.0 t -50.7 106.92 0.7 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 84.4 Cg_exo -46.3 166.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.618 2.212 . . . . 0.0 112.64 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.3 m -98.38 29.96 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 20.7 p90 -137.01 146.96 56.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.793 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.13 147.93 43.61 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.521 2.147 . . . . 0.0 112.338 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.72 -159.0 53.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -128.98 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.534 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.845 0.355 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.82 154.13 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -133.01 33.64 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.0 m 60.65 176.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.512 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -138.76 105.7 5.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.56 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.5 p -89.26 160.54 16.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.08 -176.82 23.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.462 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.35 -35.64 6.31 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.572 2.182 . . . . 0.0 112.845 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 45.1 t -97.83 41.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.86 0.362 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 1.5 m -145.57 146.11 31.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -89.51 49.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 73.18 6.26 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.727 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.7 t -173.59 -42.94 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.716 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -123.7 139.43 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 111.18 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.833 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -49.36 126.6 13.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.999 179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 29.8 mtpt -57.35 166.4 1.64 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 36.7 Cg_exo -60.38 116.81 3.58 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.553 2.169 . . . . 0.0 112.336 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' N ' ' A' ' 34' ' ' GLY . . . -53.66 121.09 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 131.05 -4.57 5.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.777 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.4 t -116.54 151.38 36.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 110.491 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.68 127.49 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.003 0.43 . . . . 0.0 111.111 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -110.91 28.74 8.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -157.01 -74.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.629 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' H ' ' HA ' ' A' ' 29' ' ' SER . 45.9 tttm 47.89 33.37 3.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.465 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 66.05 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.515 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 77.33 -56.32 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.011 0.434 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 28' ' ' SER . 8.9 p -133.71 -44.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.473 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.84 85.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.534 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.525 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 16.0 p -114.77 127.3 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.1 m-70 -136.39 129.15 30.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.3 m-85 -69.98 159.13 34.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.94 142.42 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 p -103.58 15.47 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' N ' ' HB2' ' A' ' 18' ' ' ALA . . . 42.91 36.21 2.5 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.938 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.51 -49.94 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 111.271 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.98 166.47 24.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 5' ' ' THR . 3.3 m -77.21 -25.97 52.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -73.47 102.06 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.5 m -60.72 147.62 83.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.657 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.76 169.52 7.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.389 2.059 . . . . 0.0 111.949 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.89 19.43 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.323 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -143.81 140.85 17.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.76 142.48 28.71 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.503 2.135 . . . . 0.0 112.333 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.55 56.86 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -99.96 -33.27 10.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.812 0.339 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 36.4 mtt -100.91 147.0 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -86.19 79.61 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m -156.95 169.22 25.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -113.94 150.83 33.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.694 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -139.54 127.35 22.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.0 -147.43 10.41 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.693 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.75 -43.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.167 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.77 -61.24 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.637 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.0 p -59.01 118.35 5.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 0.0 110.915 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -52.64 -70.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.342 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -142.69 7.99 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.1 t -174.81 -36.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 139.04 54.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 111.266 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.79 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.74 128.94 21.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.6 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -47.48 153.57 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -51.75 131.53 38.18 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.702 2.268 . . . . 0.0 112.386 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 161.8 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.074 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.4 26.3 59.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.235 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.9 m -126.91 139.9 52.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.456 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.59 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.02 117.84 5.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.761 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -110.56 45.53 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -176.37 -73.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.927 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' H ' ' HA ' ' A' ' 29' ' ' SER . 8.4 tttp 58.43 49.92 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.05 0.452 . . . . 0.0 110.162 -179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 25' ' ' THR . 77.1 m -69.69 63.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.609 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 t 72.47 -55.82 0.66 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -135.33 -37.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.516 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -44.77 -68.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.417 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 2.3 p 52.43 111.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.734 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -128.47 125.41 38.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.816 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.3 m-85 -77.09 152.11 35.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.23 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.53 175.45 6.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 p -127.18 18.64 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.802 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.72 37.25 14.08 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -120.38 -40.61 2.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 111.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 15' ' ' LEU . 8.1 m -148.16 159.12 44.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 39.4 t -68.56 -23.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.577 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -71.04 92.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.3 t -52.45 132.93 44.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 73.2 Cg_exo -50.96 162.32 1.13 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.494 2.13 . . . . 0.0 112.471 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 m -98.13 26.95 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 29.4 p90 -137.29 146.29 53.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.804 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 149.43 45.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.464 2.109 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.47 135.26 51.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 60.64 93.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.494 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.34 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -101.88 132.57 47.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.41 -178.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.4 m -74.68 163.75 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 57.0 m -145.98 58.46 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.524 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -47.19 130.43 12.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.283 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 -143.51 6.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.355 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 7.6 Cg_exo -72.23 -44.74 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.818 2.345 . . . . 0.0 112.421 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -96.77 27.49 3.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.233 -179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.16 115.15 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.853 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -136.23 7.95 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.672 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -151.2 11.02 0.61 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.33 10.56 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.536 0.208 . . . . 0.0 111.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -151.31 51.97 0.84 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.264 0.554 . . . . 0.0 110.947 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 35' ' ' ARG . 2.2 mt 56.0 129.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.787 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.73 147.11 98.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.306 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.84 122.83 12.5 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.523 2.149 . . . . 0.0 112.185 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.89 163.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.349 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.61 19.75 58.46 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.262 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.46 136.59 54.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 110.607 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -60.85 129.5 41.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.924 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 28.89 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.26 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.396 179.729 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.23 30.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.794 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.27 169.2 15.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -13.54 62.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -101.48 -31.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.404 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -153.35 -174.24 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 111.54 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 81.0 p -171.77 121.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.564 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 21' ' ' THR . 1.2 m-70 -130.53 -165.72 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.938 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 21' ' ' THR . 12.9 m-85 -138.74 155.79 47.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.798 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.23 156.42 16.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 p -111.5 16.0 20.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.73 27.5 4.67 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.837 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' C ' HD13 ' A' ' 15' ' ' LEU . 8.3 ttt180 -113.44 -36.56 4.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.64 ' HA ' HD22 ' A' ' 15' ' ' LEU . 25.6 m -146.06 171.25 15.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.653 ' SG ' HD23 ' A' ' 15' ' ' LEU . 51.2 m -94.66 11.06 32.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.282 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -101.26 96.16 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.812 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 42.6 t -57.57 134.65 82.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.77 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.71 156.67 26.52 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.567 2.178 . . . . 0.0 112.378 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -96.56 22.11 8.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.216 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -140.82 143.1 30.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.32 149.24 44.87 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.506 2.137 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.85 -174.48 45.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 m120 60.35 31.38 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.49 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.821 0.344 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttt 60.65 35.11 19.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -138.66 125.88 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.505 ' O ' HG23 ' A' ' 6' ' ' THR . 6.4 m 62.73 131.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.065 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -61.77 84.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.748 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 4' ' ' CYS . 68.2 p -85.34 125.76 33.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.14 179.54 41.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.91 4.48 6.08 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.725 2.283 . . . . 0.0 113.274 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -124.07 19.17 9.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.641 0.258 . . . . 0.0 111.579 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.1 m -132.86 135.39 45.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -53.81 -79.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 57.0 mt-30 -140.6 6.63 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.769 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 48.3 t -179.67 -33.02 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' NZ ' HD12 ' A' ' 15' ' ' LEU . 6.1 tmtm? -113.87 158.31 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.163 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.646 HD22 ' C ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -58.8 127.85 34.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.654 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.38 142.31 86.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.537 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.7 123.37 13.22 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.566 2.177 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.38 161.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.31 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.17 18.44 67.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.363 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.5 m -125.32 128.26 47.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.725 HG21 ' HD3' ' A' ' 24' ' ' LYS . 12.7 t -45.53 115.87 1.04 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 13.1 p -84.52 -40.16 17.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.453 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.52 -73.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.644 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.725 ' HD3' HG21 ' A' ' 21' ' ' THR . 0.4 OUTLIER 56.02 28.04 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.608 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.786 HG23 ' H ' ' A' ' 28' ' ' SER . 3.1 t -56.55 173.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -82.21 56.07 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p 176.22 -37.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.453 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.786 ' H ' HG23 ' A' ' 25' ' ' THR . 72.0 m -128.28 -176.51 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 p -165.93 128.85 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 21' ' ' THR . 10.8 m-70 -137.66 152.97 49.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -106.62 131.18 54.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.103 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.65 148.54 46.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.625 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -104.13 16.77 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.02 51.16 8.66 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.808 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.646 ' C ' HD22 ' A' ' 15' ' ' LEU . 5.6 ttt-85 -147.02 -43.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 111.459 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.584 ' N ' HD22 ' A' ' 15' ' ' LEU . 33.2 t -131.32 157.21 43.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.194 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -77.58 -7.14 55.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.226 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -80.8 155.16 26.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.83 133.89 22.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.89 178.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.392 2.061 . . . . 0.0 112.184 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.9 t -109.87 31.04 6.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -165.33 147.67 6.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.23 150.92 54.1 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.533 2.155 . . . . 0.0 112.339 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.4 -177.03 1.57 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 m120 60.29 79.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.5 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 32.1 mtt -103.63 -32.19 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -129.34 104.51 7.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 37.0 m -101.94 -24.3 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m 64.25 64.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 110.656 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.27 131.99 52.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.28 177.21 48.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.23 -28.74 64.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.479 2.119 . . . . 0.0 112.243 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -80.73 -32.7 35.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.933 0.397 . . . . 0.0 110.5 179.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 140.8 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.69 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.08 -70.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.702 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.79 -23.07 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t 178.91 -28.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -113.13 141.76 46.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.758 0.313 . . . . 0.0 110.675 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.823 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.65 129.99 8.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.069 0.462 . . . . 0.0 111.25 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -55.1 162.16 2.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.788 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.24 128.27 23.42 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.484 2.123 . . . . 0.0 112.286 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 149.15 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.03 24.35 76.55 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.341 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.6 m -121.74 123.1 41.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.749 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.836 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -57.62 115.59 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.1 p -101.56 -42.71 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.024 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.62 -69.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 tttt 57.6 30.14 18.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.61 HG22 HG12 ' A' ' 27' ' ' VAL . 5.3 m -59.43 135.41 57.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.782 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -51.14 -26.53 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.159 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.61 HG12 HG22 ' A' ' 25' ' ' THR . 12.0 p -97.62 -22.05 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.395 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 2.9 t -159.09 107.92 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 111.282 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.3 m -98.67 125.64 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -122.7 -170.55 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.836 ' CE1' HG23 ' A' ' 21' ' ' THR . 9.8 m-85 -148.23 154.16 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.774 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -91.64 147.55 22.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.66 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.1 p -107.42 22.98 15.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.59 26.6 7.71 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.778 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -115.09 -62.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.978 0.418 . . . . 0.0 110.96 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.58 170.28 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.714 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 2.5 m -100.48 15.91 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -120.67 104.42 9.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 m -50.89 141.11 19.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.11 177.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.466 2.111 . . . . 0.0 112.335 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.0 m -114.16 34.73 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -148.83 147.77 25.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.35 108.77 2.44 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.49 2.127 . . . . 0.0 112.316 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.76 129.97 9.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -165.8 -43.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.53 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.9 mtm -98.42 35.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.0 149.09 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.2 m -95.93 148.34 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.827 HG21 HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.53 124.92 21.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.649 179.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.35 153.11 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.993 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -156.67 26.82 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.423 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.29 -24.7 12.13 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.85 2.366 . . . . 0.0 112.229 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.1 -24.04 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.1 m -97.03 121.41 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 110.96 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -152.07 22.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 4.0 mt-30 -153.23 18.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.1 t 76.05 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.945 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -163.38 107.16 1.03 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.195 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.827 HD23 HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -37.93 123.67 1.09 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -44.96 166.4 0.13 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.323 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -69.91 148.12 63.37 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.821 2.347 . . . . 0.0 112.434 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.23 160.85 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.759 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.78 16.04 58.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.497 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -119.21 132.96 56.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.764 0.316 . . . . 0.0 110.426 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.62 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.91 128.36 32.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.8 -39.68 4.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.966 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -94.55 -72.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 53.01 34.1 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 28' ' ' SER . 14.5 t -55.86 164.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -21.01 66.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.422 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 27' ' ' VAL . 13.6 t -121.46 27.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.648 0.261 . . . . 0.0 111.532 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.567 ' N ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER 178.89 -171.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -177.73 112.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -125.84 134.22 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.62 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.7 m-85 -81.76 170.72 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 157.88 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 p -116.59 20.34 14.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' HD12 ' A' ' 15' ' ' LEU . . . 47.59 37.07 13.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.749 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' C ' HD13 ' A' ' 15' ' ' LEU . 30.3 mtt180 -117.18 -37.69 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.764 0.316 . . . . 0.0 111.21 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.569 ' N ' HD13 ' A' ' 15' ' ' LEU . 1.4 m -164.24 172.89 13.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.442 ' SG ' HG22 ' A' ' 5' ' ' THR . 17.5 m -71.17 -32.36 68.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.06 106.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.4 m -79.09 147.69 70.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 177.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.548 2.165 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -114.4 28.16 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -158.98 148.18 14.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.9 138.78 32.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.604 2.203 . . . . 0.0 112.271 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.72 168.52 43.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -136.16 79.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.536 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.803 0.335 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -61.33 -74.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.03 -73.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.35 8.44 6.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.492 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER 59.73 172.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.002 179.787 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER -176.42 130.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.627 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.89 -148.53 17.68 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.836 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -86.83 -33.3 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.989 2.459 . . . . 0.0 113.6 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -94.95 31.83 1.79 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.167 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.09 120.54 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.931 0.395 . . . . 0.0 110.656 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -46.58 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.45 10.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.45 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -132.71 133.88 44.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.783 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.35 137.46 4.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.86 147.52 23.44 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.629 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.04 126.62 22.09 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.661 2.241 . . . . 0.0 112.258 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -44.66 158.23 0.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.394 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.44 17.51 70.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -126.72 128.96 47.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.648 0.261 . . . . 0.0 110.565 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.713 HG21 ' HD3' ' A' ' 24' ' ' LYS . 13.3 t -50.93 134.93 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.503 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 28.0 p -105.91 -41.69 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.53 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -97.23 -53.2 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 111.289 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.713 ' HD3' HG21 ' A' ' 21' ' ' THR . 15.8 ttpt 49.58 27.81 2.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.266 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 26' ' ' SER . 33.1 m -63.95 164.55 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 67.9 m -83.84 51.57 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 26' ' ' SER . 8.1 p 172.23 -35.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.476 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -79.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.079 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.463 ' HA ' ' N ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER 59.89 116.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' HE3' ' A' ' 23' ' ' TRP . 9.4 m-70 -139.3 154.02 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.076 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.4 m-85 -102.42 125.2 49.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.57 144.34 51.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.675 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.405 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 6.6 p -101.57 18.27 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.551 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.25 37.7 8.27 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.828 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.81 -42.96 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.11 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -143.43 171.92 13.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 46.4 t -85.52 -0.11 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.473 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -86.79 141.27 28.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.5 m -107.27 136.54 19.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.42 178.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.156 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -107.68 28.93 7.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -162.94 144.1 7.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.725 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.39 149.56 39.96 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.495 2.13 . . . . 0.0 112.4 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.1 148.43 19.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -131.4 120.05 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.845 0.355 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 tpt -75.82 -67.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.52 169.5 16.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -30.47 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.582 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 63.46 122.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -124.93 166.11 16.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.024 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.12 -161.9 28.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.92 -24.18 46.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.441 2.094 . . . . 0.0 112.175 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 38.0 t -112.57 27.75 9.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 6' ' ' THR . 79.8 m -151.72 104.85 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.64 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -141.2 20.8 2.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -148.59 15.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.402 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 68.63 20.05 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.48 103.93 2.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.226 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.807 HD21 ' C ' ' A' ' 36' ' ' SER . 1.2 mt -36.47 118.64 0.56 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.408 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -47.8 150.1 2.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.969 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.59 133.93 41.98 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.555 2.17 . . . . 0.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.62 165.01 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.204 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.09 18.35 47.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.41 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.1 m -124.66 130.17 51.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.772 0.32 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.604 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.6 t -56.73 127.18 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.019 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 4.3 p -105.28 -28.68 10.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.7 OUTLIER -95.94 -69.17 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.116 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp 59.36 27.95 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.018 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.66 HG22 HG12 ' A' ' 27' ' ' VAL . 6.8 m -59.8 133.73 56.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.709 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 p -50.14 -26.69 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 HG22 ' A' ' 25' ' ' THR . 11.8 p -97.27 -22.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.4 m -158.75 108.64 2.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.613 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.7 p -97.92 133.92 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.295 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -131.19 170.88 13.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.604 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -120.61 133.2 55.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -85.7 164.81 17.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.021 0.439 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -119.63 19.57 12.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 47.1 18.52 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.851 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 mtt85 -132.68 -46.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.807 ' C ' HD21 ' A' ' 15' ' ' LEU . 13.4 p -132.87 158.99 41.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 5' ' ' THR . 90.3 m -68.52 -29.91 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.591 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.43 147.64 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.1 m -110.98 141.95 25.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.86 179.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.522 2.148 . . . . 0.0 112.24 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.24 -26.84 13.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -92.06 147.43 34.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.78 154.79 58.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.589 2.193 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.07 94.09 1.7 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.31 35.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.525 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.2 mtp -136.81 35.42 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.59 164.47 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.6 p -141.75 154.66 45.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 37' ' ' CYS . 1.5 m -110.42 76.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.468 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -43.46 96.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.481 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.47 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.59 -18.54 42.86 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.671 2.247 . . . . 0.0 112.993 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -115.36 22.47 13.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.047 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -129.32 -1.0 5.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -144.57 9.93 1.4 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 44.5 t 67.45 19.33 10.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.088 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 15' ' ' LEU . 10.4 ttmm -147.19 47.42 1.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.284 0.564 . . . . 0.0 110.835 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.787 HD23 ' SG ' ' A' ' 37' ' ' CYS . 12.2 mt 53.51 136.56 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.105 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -74.34 139.8 75.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.193 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.67 121.97 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.478 2.118 . . . . 0.0 112.282 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.92 165.67 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.67 20.98 57.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.058 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.4 m -120.94 126.47 50.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.517 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.75 113.2 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.311 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 p -97.46 29.32 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.438 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -177.12 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.369 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' CA ' ' HA ' ' A' ' 29' ' ' SER . 16.4 ptpt 47.88 29.31 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.062 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.668 HG22 ' H ' ' A' ' 27' ' ' VAL . 18.7 m -59.97 126.72 28.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.434 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.4 t -50.01 -25.49 3.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.764 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.668 ' H ' HG22 ' A' ' 25' ' ' THR . 14.5 p -107.98 20.63 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 111.348 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.446 ' HA ' ' CA ' ' A' ' 24' ' ' LYS . 23.1 t 66.22 114.71 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.043 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' O ' HG22 ' A' ' 21' ' ' THR . 6.2 m-70 -129.54 -169.26 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.517 ' CE2' HG23 ' A' ' 21' ' ' THR . 17.1 m-85 -148.31 145.8 28.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.99 147.37 27.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.573 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 p -103.81 16.24 26.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.45 27.07 3.96 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.812 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.622 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -115.85 -35.13 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.97 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.593 ' C ' HD22 ' A' ' 15' ' ' LEU . 24.3 p -140.12 172.69 12.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.682 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' HD23 ' A' ' 15' ' ' LEU . 3.9 m -100.4 16.68 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.839 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.67 99.9 8.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 25.3 t -53.15 123.62 35.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 19.8 Cg_endo -60.58 168.47 6.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.59 2.193 . . . . 0.0 112.529 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.9 m -99.96 27.71 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 22.8 p90 -135.22 144.88 51.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.829 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.65 149.02 42.86 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.513 2.142 . . . . 0.0 112.329 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.66 -30.77 75.7 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.57 83.26 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.52 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 ttm -99.18 -36.04 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.37 103.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.9 m -74.24 129.02 37.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 3.0 m -69.26 70.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.546 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.72 128.28 15.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.363 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.87 159.91 23.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.15 -28.29 60.36 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.229 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 43.3 t -98.57 33.66 2.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.223 0.535 . . . . 0.0 110.538 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -130.88 142.88 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 20.9 ttt180 -97.23 42.79 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.601 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 1.7 mt-30 85.74 -25.89 0.11 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.411 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 35.43 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.647 0.261 . . . . 0.0 111.069 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -159.3 115.05 2.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.817 0.342 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.868 HD11 ' N ' ' A' ' 36' ' ' SER . 2.3 tt -47.06 105.3 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -48.83 142.66 8.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.35 134.3 41.33 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.47 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 165.99 0.17 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.22 14.31 59.25 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.1 m -119.51 122.85 42.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.811 0.339 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.904 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.87 121.71 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.095 -179.736 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 p -114.48 43.16 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -175.02 -72.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 10.2 pttm 47.26 33.06 2.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.877 HG23 ' H ' ' A' ' 28' ' ' SER . 1.5 t -45.6 168.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.179 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 7.9 t -79.43 55.71 1.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.4 p 169.32 -32.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.407 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.877 ' H ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -124.2 -169.44 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.929 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.1 t -175.11 120.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CE1' ' HA ' ' A' ' 41' ' ' SER . 5.9 m-70 -128.38 165.1 21.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.275 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.904 ' CE2' HG23 ' A' ' 21' ' ' THR . 9.2 m-85 -123.65 163.38 21.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.275 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.27 145.69 28.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.688 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -102.24 13.32 34.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.29 27.77 2.91 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.964 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.59 ' C ' HD11 ' A' ' 15' ' ' LEU . 5.5 ttt180 -138.05 10.46 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.868 ' N ' HD11 ' A' ' 15' ' ' LEU . 12.2 t 179.24 158.54 0.61 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.746 0.308 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 3.0 m -90.87 7.32 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.177 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -102.19 95.03 6.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 9' ' ' CYS . 5.4 t -46.52 123.02 7.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.7 171.26 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.562 2.174 . . . . 0.0 112.509 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.448 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -102.49 24.38 10.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.13 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -135.83 144.81 50.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.0 149.21 41.42 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.519 2.146 . . . . 0.0 112.335 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.67 93.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -168.3 -43.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.789 0.328 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.1 ttt 60.63 160.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -122.43 153.71 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 m -104.54 140.72 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.787 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -60.16 101.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.65 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 p -103.32 136.96 42.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.79 -175.09 25.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -25.67 16.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.6 2.2 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -102.78 53.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.8 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -176.13 126.73 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.625 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -92.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -128.7 -14.56 4.57 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -176.3 34.68 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.657 0.265 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -157.93 117.29 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.771 0.32 . . . . 0.0 110.673 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -46.21 116.24 1.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.778 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -47.15 137.17 8.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.025 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.72 142.59 70.92 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.471 2.114 . . . . 0.0 112.448 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 167.1 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.23 22.18 49.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.0 m -129.58 134.12 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.555 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.39 118.41 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.6 p -98.58 -33.02 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -105.42 -71.59 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.302 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 60.79 27.66 17.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 26' ' ' SER . 86.4 m -58.44 162.4 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.626 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 25' ' ' THR . 89.0 p -47.02 -44.76 20.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.996 0.427 . . . . 0.0 111.038 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -115.93 -22.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 88.57 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 111.582 -179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 t -103.79 105.57 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.957 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.1 m-70 -129.14 146.02 51.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.281 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.6 m-85 -92.9 169.94 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -98.58 151.34 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -108.72 14.12 24.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 32.17 3.96 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.763 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.07 -33.46 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.63 0.252 . . . . 0.0 111.541 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.785 ' N ' HD21 ' A' ' 15' ' ' LEU . 11.2 p -161.2 172.18 17.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.787 ' SG ' HG22 ' A' ' 5' ' ' THR . 41.2 m -78.88 -8.06 58.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.395 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.03 101.7 11.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.809 0.338 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.69 149.45 95.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.1 178.12 4.46 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.57 2.18 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.25 -29.39 14.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -94.43 148.32 34.78 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.45 176.53 9.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.584 2.189 . . . . 0.0 112.355 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.79 76.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -157.44 -55.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.507 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.815 0.34 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -106.09 140.84 38.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -60.57 175.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.5 m 60.34 -178.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -130.93 112.57 13.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.07 129.74 56.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.14 -154.15 25.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.637 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.16 -46.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.835 2.356 . . . . 0.0 113.146 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.3 t -93.78 49.26 1.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.397 . . . . 0.0 111.286 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 30.5 p -177.92 138.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.012 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.29 164.55 29.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 67.63 -73.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.49 35.16 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.18 143.48 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.81 137.87 9.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' HD22 ' A' ' 15' ' ' LEU . 2.0 mtmm -68.78 143.94 95.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 145.65 97.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.597 2.198 . . . . 0.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.28 169.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.93 19.32 50.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.461 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -127.33 128.19 45.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.711 0.291 . . . . 0.0 110.279 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.522 HG21 ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.78 123.03 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 0.0 111.099 -179.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.03 -28.86 13.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.319 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.98 -70.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.501 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER 53.76 35.63 21.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.706 HG23 ' H ' ' A' ' 28' ' ' SER . 1.8 t -56.17 174.79 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -52.08 -40.54 61.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.265 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 28' ' ' SER . 12.1 p -108.88 -48.59 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.706 ' H ' HG23 ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.1 -177.04 6.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.876 0.37 . . . . 0.0 111.176 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 p -177.06 108.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.747 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.3 m-70 -124.31 141.64 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.02 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -95.88 159.87 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.83 144.52 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.661 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.8 p -100.25 14.84 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.34 54.07 8.94 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -153.93 -50.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.0 173.87 11.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.983 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' HB2' HG22 ' A' ' 5' ' ' THR . 34.6 t -91.56 8.13 38.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.11 117.54 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.808 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.53 130.22 54.37 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.41 -179.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.34 2.027 . . . . 0.0 111.929 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.01 36.98 2.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -168.42 147.25 3.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.802 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.87 152.17 51.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.527 2.152 . . . . 0.0 112.365 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.03 -172.98 1.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 59.68 74.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.48 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.794 0.331 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.8 ttm -144.62 144.78 31.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -132.24 145.74 51.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.7 m -105.41 150.21 25.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -114.5 74.77 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.722 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.86 110.4 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.497 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.64 -170.75 22.82 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -70.15 -35.44 11.49 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.7 2.266 . . . . 0.0 112.127 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' CA ' ' HB2' ' A' ' 22' ' ' CYS . 35.2 t -82.29 -30.79 30.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 103.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.692 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 12.5 ttm180 -70.1 -11.52 60.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.442 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 173.95 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.1 t -178.07 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.813 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.94 118.2 36.12 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.658 0.266 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.812 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.61 114.63 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' HB2' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -43.55 149.59 0.59 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.046 -179.355 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.58 140.21 36.76 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.827 2.351 . . . . 0.0 112.53 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -54.6 171.25 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.998 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.03 18.84 42.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.398 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -120.56 114.16 21.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.731 0.3 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.1 t -47.57 108.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 9' ' ' CYS . 31.7 p -94.05 42.44 1.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.329 179.749 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' H ' ' HA ' ' A' ' 29' ' ' SER . 3.1 tptm 54.21 34.36 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.689 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.77 65.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.185 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m 78.48 -55.96 0.47 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 28' ' ' SER . 9.5 p -133.59 -44.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.207 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.486 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -68.98 90.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.483 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 54.3 p -119.0 131.36 56.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.026 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 1.3 m-70 -135.98 111.98 9.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.947 0.403 . . . . 0.0 111.329 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 2.5 m-30 -59.77 121.02 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 158.97 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.718 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.477 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 15.9 p -104.9 16.22 26.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.82 27.19 4.61 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.851 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -119.7 -40.81 2.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -135.06 153.43 52.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.1 m -75.62 -8.3 56.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.36 172.42 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.337 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 83.4 m -135.72 128.87 18.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.324 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 39' ' ' CYS . 37.2 Cg_exo -56.97 178.1 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.444 2.096 . . . . 0.0 112.015 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 p -104.01 19.23 20.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.25 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.7 144.07 25.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.574 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -75.48 165.18 31.11 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.519 2.146 . . . . 0.0 112.499 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.22 -176.15 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 m120 60.09 82.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.527 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.813 0.34 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.8 mtp -131.68 79.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -105.5 -58.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.2 148.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.816 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -66.27 77.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -95.05 147.91 22.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 176.48 15.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.46 -7.23 19.35 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.782 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -123.06 54.1 1.26 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.867 0.365 . . . . 0.0 111.263 -179.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -179.3 120.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.408 . . . . 0.0 111.393 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.329 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -53.05 95.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.225 0.536 . . . . 0.0 111.289 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t 43.37 58.11 3.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.07 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 119.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 110.789 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.721 HD21 ' C ' ' A' ' 35' ' ' ARG . 1.3 tp -47.04 120.04 2.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.812 0.339 . . . . 0.0 110.251 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.14 135.03 49.9 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.21 127.34 21.8 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.454 2.103 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.89 152.11 2.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.46 78.97 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.285 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -130.27 118.53 21.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.3 t -45.78 94.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.7 p -65.19 -39.66 93.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.321 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.96 -69.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.729 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.14 28.97 12.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.291 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.6 m -53.18 152.09 4.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.947 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -45.87 -30.23 1.64 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.3 p -139.89 27.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.17 90.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.474 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.402 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 p -100.63 123.75 45.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.0 m-70 -130.55 122.74 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 111.467 -178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 3.2 m-85 -73.5 133.31 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.338 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.6 t -68.73 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.216 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.8 p -104.44 14.25 30.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 44.53 29.7 1.91 Allowed Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.803 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.721 ' C ' HD21 ' A' ' 15' ' ' LEU . 31.6 mtp180 -119.64 -28.62 5.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.495 0.188 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.453 ' HA ' HD11 ' A' ' 15' ' ' LEU . 42.6 t -162.95 175.04 11.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.947 0.403 . . . . 0.0 111.377 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.816 ' SG ' HG22 ' A' ' 5' ' ' THR . 18.8 m -80.99 -5.52 57.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.419 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.18 120.89 26.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.787 0.327 . . . . 0.0 110.959 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 m -84.93 142.22 38.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.07 172.35 14.08 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.546 2.164 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.17 27.42 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -153.1 141.82 14.25 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.738 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 38.1 Cg_endo -66.55 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.399 2.066 . . . . 0.0 112.487 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.91 -116.38 1.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 64.19 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.514 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -107.86 106.22 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.58 44.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.6 m -86.77 178.39 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -164.63 69.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.503 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -42.21 108.38 0.1 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.632 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 -155.33 7.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.37 -19.83 12.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.665 2.243 . . . . 0.0 112.753 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 47.3 t -132.77 55.66 1.88 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.811 0.339 . . . . 0.0 111.365 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -122.91 97.18 5.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.834 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.8 ttt-85 -60.4 85.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 69.74 -65.24 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.82 20.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.129 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -155.71 124.82 6.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.66 0.267 . . . . 0.0 110.364 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.792 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.14 132.14 4.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.031 0.443 . . . . 0.0 111.27 -179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -55.73 168.13 0.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.899 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.06 141.82 65.48 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.56 146.32 36.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.85 79.15 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.294 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.6 m -118.8 124.46 47.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.21 123.95 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.733 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.06 -27.26 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -103.41 -74.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.337 . . . . 0.0 111.49 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 14.5 tptt 55.12 35.09 24.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.792 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 28' ' ' SER . 15.2 t -54.7 177.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.2 m -60.75 -22.99 64.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.248 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.592 ' H ' HG23 ' A' ' 25' ' ' THR . 23.1 t -154.26 47.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.899 0.38 . . . . 0.0 111.562 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.895 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.2 87.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 1.4 m -95.69 122.55 38.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -116.56 169.73 9.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.002 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -125.92 153.47 44.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 159.47 15.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.753 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.406 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.0 p -114.94 22.23 13.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.25 26.02 8.85 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.781 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -112.89 -68.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -106.42 171.74 7.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 9' ' ' CYS . 24.7 m -91.06 8.28 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -103.34 149.83 24.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.665 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.3 m -93.03 119.2 67.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.014 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.91 163.68 24.42 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.392 2.061 . . . . 0.0 111.87 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 p -80.83 57.57 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.524 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -123.02 104.36 35.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.58 -20.88 30.42 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.447 2.098 . . . . 0.0 112.188 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.04 -80.46 1.3 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 61.71 94.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.539 -179.996 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 75.4 mtm -104.98 176.83 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.25 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 m -88.71 140.39 29.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -59.4 125.85 25.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.543 179.63 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.6 p -134.4 134.76 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.079 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.89 -153.47 25.38 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.69 -38.96 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.608 2.205 . . . . 0.0 112.831 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.582 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 42.1 t -108.82 51.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' SG ' HG22 ' A' ' 5' ' ' THR . 69.8 m -129.47 125.52 36.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.986 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.82 68.01 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 70.22 -65.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -146.06 27.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.079 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.23 121.86 8.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -47.57 117.95 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.877 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -48.41 145.11 5.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.41 147.59 87.32 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.585 2.19 . . . . 0.0 112.55 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.28 165.68 9.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 56.1 27.03 50.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.36 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.8 m -130.27 127.47 39.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.291 . . . . 0.0 110.453 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.435 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -53.0 109.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.986 -179.812 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -88.45 -42.3 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.192 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -89.72 -60.51 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.428 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.55 30.59 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.323 -179.705 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 HG12 ' A' ' 27' ' ' VAL . 6.2 m -59.8 141.8 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -26.57 9.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 25' ' ' THR . 12.7 p -96.95 -24.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 126.64 6.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 111.32 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 72.5 m -113.34 118.23 34.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -122.91 150.02 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.3 m-85 -98.44 157.22 16.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.398 179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.42 171.62 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 111.222 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -125.06 19.33 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.756 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.61 40.97 41.36 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.768 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -122.56 -34.55 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.733 0.301 . . . . 0.0 111.312 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.843 ' HA ' HD11 ' A' ' 15' ' ' LEU . 47.0 t -166.15 171.56 12.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.734 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -68.28 -31.95 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.783 179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -53.99 115.26 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.357 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.89 144.58 33.19 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.61 177.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.465 2.11 . . . . 0.0 112.132 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -113.52 31.38 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -158.29 148.18 15.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.13 138.33 30.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.02 138.05 29.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.2 -49.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.833 0.349 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 tpt -160.88 110.9 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -134.58 141.7 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.7 m -97.53 166.32 11.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.77 HG21 HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -109.69 111.72 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.624 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -94.29 147.18 23.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 178.05 17.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -73.27 -30.35 10.48 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.55 2.167 . . . . 0.0 112.546 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -90.16 46.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.17 -179.83 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 134.02 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -57.85 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -143.48 9.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.807 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -177.8 -33.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.539 0.209 . . . . 0.0 111.539 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -118.12 155.66 30.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.77 HD11 HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -56.02 134.18 52.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.439 179.853 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -54.5 143.82 45.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.641 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.84 117.56 2.84 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.159 . . . . 0.0 112.518 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.5 110.87 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.316 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 23.24 5.93 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.231 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.6 m -130.28 135.98 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.675 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -55.36 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.51 25.39 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.113 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.469 ' CZ3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -154.95 -73.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 111.412 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.567 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.8 tttt 46.95 47.54 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.631 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -75.92 61.45 1.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.56 -179.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 3.0 m 55.46 18.59 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.135 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 28' ' ' SER . 3.8 p 165.88 -48.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.012 0.434 . . . . 0.0 110.612 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.474 ' N ' HG13 ' A' ' 27' ' ' VAL . 59.8 m -82.41 85.61 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.638 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.567 ' HA ' ' H ' ' A' ' 24' ' ' LYS . 18.9 p -112.48 137.55 50.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -143.98 124.99 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' CE1' HG23 ' A' ' 21' ' ' THR . 3.3 m-85 -72.0 130.26 40.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -71.33 156.83 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 p -108.77 13.9 24.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.553 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.24 27.92 2.92 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.902 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -116.26 -31.76 5.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.673 0.273 . . . . 0.0 111.222 -179.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 p -153.18 166.37 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.516 ' SG ' HG22 ' A' ' 5' ' ' THR . 2.5 m -79.84 -6.24 56.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.369 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -82.1 114.52 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 111.058 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.66 147.13 54.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.83 144.23 56.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.401 2.068 . . . . 0.0 112.199 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 p -78.93 -29.85 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -100.05 140.76 21.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.48 157.87 55.32 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.419 2.079 . . . . 0.0 112.405 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.38 -61.64 7.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -60.97 88.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.52 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.803 0.335 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 tpp -105.95 31.72 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -103.25 135.09 45.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.7 m -67.14 121.6 15.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 6' ' ' THR . 25.4 m -57.13 163.46 2.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 5' ' ' THR . 2.7 p -141.11 135.56 31.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.0 28.5 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 32.8 Cg_endo -64.2 -14.49 44.06 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.687 2.258 . . . . 0.0 112.521 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 48.5 t -117.35 47.18 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 142.02 47.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -90.23 44.48 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 71.36 4.71 5.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.586 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.24 -28.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.574 0.226 . . . . 0.0 111.376 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -113.71 135.72 53.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.911 0.386 . . . . 0.0 111.104 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.93 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -54.54 112.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.646 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.84 146.11 4.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.985 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.09 144.25 92.13 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.657 2.238 . . . . 0.0 112.654 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.11 171.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.62 18.24 37.21 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.47 -179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.7 m -118.4 129.49 55.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -54.34 128.55 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.074 -179.724 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 9' ' ' CYS . 2.1 p -108.67 26.21 10.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.509 ' CZ3' ' HB2' ' A' ' 28' ' ' SER . 0.0 OUTLIER -164.66 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 179.672 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 29' ' ' SER . 6.7 ttpt 49.53 28.07 2.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.474 -179.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.82 169.11 12.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.005 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -69.86 -22.39 63.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -94.01 -31.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.294 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 1.1 m -151.77 177.79 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.134 0.492 . . . . 0.0 111.614 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 24' ' ' LYS . 14.7 m -165.47 121.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.346 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 m-70 -131.59 -177.73 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 111.25 -179.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -123.87 167.16 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.31 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.58 169.49 8.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 111.142 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -122.3 15.31 10.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.29 26.38 4.83 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.886 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.32 -23.65 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.596 0.236 . . . . 0.0 111.472 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.93 ' HA ' HD11 ' A' ' 15' ' ' LEU . 2.1 m -160.4 152.18 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 110.818 -179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 29.3 m -82.67 -1.17 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.216 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -80.24 75.56 7.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.92 0.39 . . . . 0.0 110.748 179.731 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 46.0 t -47.51 118.19 5.63 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.18 159.43 2.76 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.478 2.118 . . . . 0.0 112.309 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 t -97.66 27.78 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -139.9 138.08 19.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.6 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.1 154.18 52.19 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.46 -34.54 81.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.15 -31.38 71.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.522 179.973 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.844 0.354 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mtp -60.48 148.68 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -170.87 35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.8 m 60.67 -177.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -135.45 145.9 47.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -132.81 122.68 24.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.61 -155.31 25.27 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.68 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.55 -46.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.784 2.323 . . . . 0.0 113.046 -179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -64.63 -49.45 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 111.271 -179.662 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -80.66 136.18 36.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.83 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -146.32 9.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.99 -38.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -126.81 144.37 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.099 -179.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -52.8 128.84 28.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.662 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -59.96 156.0 39.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.48 131.58 38.98 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.487 2.125 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -46.32 161.0 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.46 9.19 73.02 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.409 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.8 m -113.41 119.48 37.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.639 0.257 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.744 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 3.6 t -45.18 115.45 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.313 -179.623 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 8.1 p -92.53 33.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.269 -179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' HE3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -177.07 -71.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.957 0.408 . . . . 0.0 111.515 -179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.66 28.29 11.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.508 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.64 HG22 HG12 ' A' ' 27' ' ' VAL . 4.7 m -52.87 152.36 3.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.599 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 9.1 t -77.35 55.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.112 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.64 HG12 HG22 ' A' ' 25' ' ' THR . 6.7 p 166.78 -30.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.18 -74.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.18 117.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.253 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 21' ' ' THR . 9.4 m-70 -130.09 -164.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.079 -178.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.744 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 7.2 m-85 -150.37 136.78 18.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.923 0.392 . . . . 0.0 111.388 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 t -79.47 145.37 33.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.415 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 3.6 p -102.02 16.49 25.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.72 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 47.27 48.35 20.83 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.674 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.772 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -137.81 -43.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.417 -179.732 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 85.5 p -140.89 162.3 35.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.232 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 9' ' ' CYS . 43.8 t -77.76 -9.43 59.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -81.74 101.97 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 0.0 111.169 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 50.0 t -67.34 122.23 82.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.455 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 39' ' ' CYS . 11.2 Cg_endo -54.68 163.72 3.69 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.478 2.118 . . . . 0.0 112.33 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -97.42 29.11 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -149.66 143.81 17.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.89 144.18 27.15 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.553 2.169 . . . . 0.0 112.388 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.46 -33.69 77.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -94.97 79.31 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.544 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.815 0.34 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.03 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.58 81.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.24 -25.41 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 61.33 64.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 p -57.55 112.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.83 175.81 35.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 35.6 Cg_exo -59.96 -43.02 39.62 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.554 2.169 . . . . 0.0 112.241 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -33.55 75.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.933 0.396 . . . . 0.0 110.515 179.62 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.35 128.04 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.915 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -10.57 55.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 168.52 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.459 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -170.55 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -108.37 131.23 54.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -46.92 117.86 1.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -47.05 147.1 2.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.22 131.95 44.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.491 2.127 . . . . 0.0 112.272 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -47.86 164.59 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 66.52 13.58 60.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.475 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -121.68 124.34 44.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.688 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 12.2 t -48.0 123.77 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -105.86 31.58 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.3 OUTLIER -174.0 -71.12 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 111.508 -179.711 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.07 25.99 15.96 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.613 -179.454 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.68 HG22 HG12 ' A' ' 27' ' ' VAL . 10.5 m -57.92 132.63 53.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.725 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.7 m -47.88 -27.8 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.68 HG12 HG22 ' A' ' 25' ' ' THR . 11.6 p -96.5 -22.14 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.451 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.5 OUTLIER -158.86 110.17 2.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.876 0.369 . . . . 0.0 111.795 -179.396 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -98.25 133.26 42.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.178 179.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.9 m-70 -133.18 173.17 11.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.333 -179.204 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.688 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -129.87 137.82 50.63 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.241 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 1.8 t -76.37 144.38 40.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.497 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.407 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 17.0 p -101.46 17.47 22.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.74 34.62 5.44 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.934 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.616 ' C ' HD13 ' A' ' 15' ' ' LEU . 14.6 ttt85 -118.4 -40.35 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.117 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 t -139.71 172.89 12.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -94.3 10.4 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.71 100.76 9.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 33.7 t -57.53 110.9 2.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.77 176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.521 2.148 . . . . 0.0 112.571 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.18 27.59 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -153.54 146.7 17.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.87 -179.93 5.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.586 2.191 . . . . 0.0 112.416 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.84 -63.01 3.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -77.05 87.31 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.53 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.826 0.346 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.0 tpp -60.64 158.41 12.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.39 168.13 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.46 -2.79 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 62.41 127.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.123 179.729 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.2 p -132.88 127.16 33.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.36 -151.38 11.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.798 -179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.35 -43.61 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.854 2.369 . . . . 0.0 112.928 -179.534 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -72.01 -59.89 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.559 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 24.4 p -66.5 122.38 17.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -54.09 -78.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -144.03 9.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.937 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.76 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 140.29 51.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.73 0.3 . . . . 0.0 111.007 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.78 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.17 136.89 8.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.792 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -52.52 141.18 34.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.747 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -50.53 129.63 27.19 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.516 2.144 . . . . 0.0 112.545 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.4 106.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.76 25.13 3.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -126.46 132.83 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.168 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.547 HG21 ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -52.87 116.95 2.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.517 -179.469 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 22.8 p -97.36 22.84 8.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -169.42 -72.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 111.376 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' HG2' HG21 ' A' ' 21' ' ' THR . 2.9 tmtm? 60.89 25.18 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.749 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 27' ' ' VAL . 85.3 m -58.77 142.62 49.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.6 t -46.76 -27.86 1.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.564 ' H ' HG22 ' A' ' 25' ' ' THR . 12.5 p -111.19 -16.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.731 -179.822 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -145.3 104.85 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.853 0.358 . . . . 0.0 111.892 -179.271 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 4.5 m -107.57 110.51 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.058 178.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -123.36 165.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.642 -178.562 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 29.6 m-85 -118.97 155.21 31.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 t -90.07 161.72 15.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 p -116.72 18.32 14.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.661 179.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.14 41.84 11.72 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.761 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -43.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.299 . . . . 0.0 111.3 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -146.11 170.5 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' HG22 ' A' ' 5' ' ' THR . 52.7 t -81.07 -5.38 57.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.75 104.49 13.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 111.249 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.5 t -75.04 123.34 88.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.328 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -42.89 145.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.649 2.233 . . . . 0.0 112.795 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -96.47 25.57 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -138.11 145.29 47.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.49 139.73 35.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.539 2.159 . . . . 0.0 112.331 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.84 -38.6 85.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -98.24 35.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.494 179.998 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.828 0.347 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.31 -39.73 93.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -172.57 128.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 m -106.53 -33.08 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 65.54 62.58 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.634 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -57.85 124.23 18.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.26 164.63 35.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.363 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.8 -28.04 36.86 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.665 2.243 . . . . 0.0 112.5 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.38 -13.86 45.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 110.951 179.487 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -93.95 119.65 33.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.644 179.873 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -59.26 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -117.32 -24.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.313 . . . . 0.0 110.936 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.13 34.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -159.22 141.03 13.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.759 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.0 114.54 2.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.96 179.917 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.7 mttp -58.78 140.59 85.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.635 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.8 Cg_exo -60.78 127.06 21.32 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.368 2.045 . . . . 0.0 112.56 -179.756 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -45.71 118.36 1.78 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.168 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' CE1' ' A' ' 31' ' ' TYR . . . 121.54 3.62 10.19 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.552 -179.603 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 m -113.76 127.11 55.89 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.766 0.317 . . . . 0.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 14.3 t -47.75 117.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 6.0 p -99.01 34.38 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.4 OUTLIER -177.11 -71.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.405 . . . . 0.0 111.451 -179.909 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp 61.3 26.94 16.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.72 -179.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.676 HG22 HG12 ' A' ' 27' ' ' VAL . 5.4 m -59.24 132.29 53.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -48.7 -27.79 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 HG22 ' A' ' 25' ' ' THR . 11.8 p -95.46 -22.8 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -159.04 110.14 2.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 111.584 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -98.15 133.97 41.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.344 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 21' ' ' THR . 6.4 m-70 -134.03 170.66 15.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.141 -179.339 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.7 OUTLIER -127.42 139.87 52.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.023 -179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.38 141.15 43.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 110.438 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.475 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.1 p -103.18 20.05 18.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.19 28.23 1.94 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.908 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.649 ' C ' HD21 ' A' ' 15' ' ' LEU . 4.5 ttm-85 -106.34 -31.81 8.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.759 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.8 m -155.28 171.36 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.75 ' SG ' HD12 ' A' ' 15' ' ' LEU . 10.3 m -93.31 9.75 34.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.085 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -109.87 91.6 3.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 16.6 t -46.25 132.96 7.5 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 38.3 Cg_endo -66.57 173.88 7.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.553 2.169 . . . . 0.0 112.385 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.4 m -100.14 30.36 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 14.7 p90 -138.35 148.15 58.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.43 147.19 51.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.184 . . . . 0.0 112.321 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.32 -149.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 60.58 35.44 20.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.471 179.994 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.9 mtp -132.74 109.25 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -100.94 32.81 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 m -156.19 -42.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.9 m 72.89 64.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -55.23 118.95 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.25 171.61 39.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.709 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.61 -25.86 61.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.873 2.382 . . . . 0.0 112.692 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -91.03 -25.3 19.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.627 0.251 . . . . 0.0 111.306 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 110.86 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.629 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -69.36 -11.38 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.477 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 169.96 -27.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.676 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -173.6 -29.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.338 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -111.39 130.52 55.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.688 0.28 . . . . 0.0 110.575 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.818 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.45 124.85 3.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.052 0.453 . . . . 0.0 111.174 -179.903 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -49.4 146.78 6.23 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.3 126.7 18.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.583 2.189 . . . . 0.0 112.529 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -47.8 149.23 1.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.151 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.13 4.69 84.07 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.685 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.2 m -111.5 112.46 24.21 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -56.36 119.26 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.846 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -94.95 -36.37 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.474 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -84.69 -77.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.182 -178.642 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 tptt 59.47 22.96 11.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.544 -179.045 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.809 HG23 ' H ' ' A' ' 28' ' ' SER . 9.0 t -52.95 163.31 0.51 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -84.26 57.23 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.221 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p 177.54 -32.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.406 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.809 ' H ' HG23 ' A' ' 25' ' ' THR . 4.1 t -155.38 93.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.239 -179.493 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 25.6 p -80.87 158.44 25.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.653 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' CE3' ' A' ' 23' ' ' TRP . 38.1 m-70 -147.63 172.22 14.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.968 0.413 . . . . 0.0 111.631 -179.393 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.49 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -126.35 133.38 51.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.57 179.863 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 144.14 49.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.742 0.306 . . . . 0.0 110.426 179.826 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.9 p -101.19 20.54 15.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 47.08 27.57 3.65 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.849 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.8 mmt85 -130.65 -53.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.03 0.443 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -98.04 155.9 16.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.558 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 5' ' ' THR . 1.3 m -95.62 12.37 29.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' HB2' ' A' ' 9' ' ' CYS . 12.2 pt-20 -133.25 113.09 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.836 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -45.88 142.13 3.93 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.32 178.07 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.622 2.215 . . . . 0.0 112.445 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -96.19 25.83 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -153.09 144.6 16.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.684 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.79 151.47 46.0 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.489 2.126 . . . . 0.0 112.349 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.0 170.32 5.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -174.96 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.524 179.987 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.813 0.34 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -132.81 -46.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.57 169.79 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.3 m -105.28 133.46 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 6' ' ' THR . 26.5 m -84.63 167.39 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.372 179.668 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.459 ' N ' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -128.91 120.47 26.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.407 . . . . 0.0 111.051 -179.923 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.94 167.48 37.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.404 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.6 -24.17 60.87 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.625 2.217 . . . . 0.0 112.512 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -79.85 -27.13 40.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.77 179.734 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 138.51 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -86.99 -33.68 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.585 179.611 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER 173.56 4.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.931 179.849 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' H ' ' H ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 175.19 -34.73 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.696 0.284 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -126.56 145.62 50.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -54.69 127.11 26.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -53.36 163.05 1.03 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.4 134.0 32.0 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.516 2.144 . . . . 0.0 112.347 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.05 139.96 21.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.89 21.49 59.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.326 -179.731 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.3 m -125.24 123.59 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.707 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.621 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -54.49 127.66 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.804 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 14.1 p -115.25 -42.97 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.8 OUTLIER -83.46 -71.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.356 -179.491 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttm 55.39 30.11 14.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.727 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 26' ' ' SER . 85.5 m -50.19 162.77 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.017 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 22.9 t -80.13 53.45 1.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.842 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.1 p 168.99 -33.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -137.32 103.16 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.121 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -99.22 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.542 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.4 m170 -118.36 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.234 -179.358 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.621 ' CE1' HG23 ' A' ' 21' ' ' THR . 23.3 m-85 -138.5 166.86 23.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.93 148.99 23.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.463 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -108.18 21.78 16.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.06 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.9 30.27 6.94 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.734 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.694 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.6 tpt180 -115.18 -57.37 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.953 0.406 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 p -123.37 172.98 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 5' ' ' THR . 2.0 m -94.64 11.41 31.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -116.6 106.43 13.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -51.71 145.49 15.91 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 69.0 Cg_endo -74.16 178.61 6.72 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.568 2.178 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -97.71 28.28 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 13.0 p90 -137.13 145.13 48.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.74 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 17.7 Cg_endo -60.14 -77.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.44 2.093 . . . . 0.0 112.443 -179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.58 44.04 0.12 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -98.73 31.12 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.489 -179.975 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.3 mtt -104.59 81.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.66 119.72 18.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.58 -30.14 10.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.508 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER 65.52 111.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.397 -179.655 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -110.93 148.29 32.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 -179.687 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 -167.38 34.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.95 -47.25 0.91 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.654 2.236 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -60.08 -70.0 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -55.11 127.08 27.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 7.9 ptt85 -58.33 -28.46 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 14.7 tt0 173.45 -30.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.072 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.67 23.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -166.92 116.93 0.88 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.713 0.292 . . . . 0.0 110.722 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.27 117.56 1.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -43.67 152.69 0.43 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.47 128.9 23.62 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.417 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.07 25.85 4.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.313 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.9 m -136.22 136.61 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.75 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -57.18 126.03 25.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.763 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.1 p -108.84 -29.63 8.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.315 -179.663 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.5 -73.43 0.67 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.744 -179.294 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 57.37 30.53 18.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.656 -179.321 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' SER . 12.3 t -53.61 172.38 0.07 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -18.26 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.183 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.675 ' H ' HG23 ' A' ' 25' ' ' THR . 22.6 t -153.94 47.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.566 -179.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.909 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 170.79 91.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 m -98.5 115.59 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.8 m-70 -119.52 147.85 43.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CE1' HG23 ' A' ' 21' ' ' THR . 21.2 m-85 -100.8 153.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.22 147.27 26.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.6 p -106.99 19.11 20.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.3 48.39 15.78 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.698 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.77 -43.01 1.0 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.676 0.274 . . . . 0.0 111.509 -179.655 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -159.76 174.49 14.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' SG ' HG22 ' A' ' 5' ' ' THR . 97.1 m -73.1 -21.27 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.187 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.59 101.64 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.8 m -77.14 147.61 76.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -50.93 165.8 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.579 2.186 . . . . 0.0 112.394 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -107.87 31.36 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -149.11 149.05 28.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.3 94.62 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 88.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -176.73 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.504 179.99 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -66.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.44 -178.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -65.97 163.29 17.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -151.58 76.67 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.02 118.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.493 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.61 -169.09 27.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.76 -19.49 41.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.546 2.164 . . . . 0.0 112.609 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 41.8 t -100.83 -34.85 9.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 179.793 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 143.13 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.68 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -107.34 -85.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -100.52 -32.22 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.629 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.59 35.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.928 179.771 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -168.87 125.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.509 179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.803 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.52 128.5 5.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.129 0.49 . . . . 0.0 111.372 -179.664 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -51.02 162.82 0.55 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 140.68 93.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.59 159.34 2.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.83 26.44 65.22 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.116 -179.674 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.8 m -125.1 130.81 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 110.51 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.98 114.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.872 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 3.0 p -107.15 34.95 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.421 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 1.6 t90 -167.05 -70.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.713 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 45.28 31.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.454 . . . . 0.0 110.899 -179.354 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' CD1' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -50.52 172.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.062 -179.873 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 58.3 m -82.56 53.72 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.711 179.803 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.1 p 175.52 -35.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.669 -179.855 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -142.36 133.58 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.227 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 54.7 p -117.8 113.47 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.345 179.481 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.7 m170 -113.4 166.42 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.601 -179.094 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 21' ' ' THR . 8.7 m-85 -116.63 155.43 28.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.76 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 174.05 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -123.19 16.39 9.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.185 -179.736 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.49 25.36 13.19 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.782 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -117.67 -43.03 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 155.38 49.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.0 m -82.94 -0.18 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -90.8 90.49 7.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 t -47.63 116.09 4.23 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' CB ' ' CE2' ' A' ' 42' ' ' TYR . 80.9 Cg_exo -47.96 171.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.53 2.154 . . . . 0.0 112.551 -179.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -97.83 26.44 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 40' ' ' PRO . 11.0 p90 -127.64 145.49 55.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -59.65 -76.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.513 2.142 . . . . 0.0 112.403 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.53 -100.3 1.77 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.73 -170.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.497 -179.979 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 43.4 mtp -137.21 144.12 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.82 114.16 26.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.7 m -105.06 -26.03 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 58.93 1.91 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.643 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.64 112.97 1.61 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.151 -179.763 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.56 165.94 37.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 10.8 Cg_endo -54.45 -25.34 39.65 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.562 2.175 . . . . 0.0 112.422 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -95.74 18.02 13.88 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 178.94 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -124.88 118.93 27.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.665 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -60.28 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 7.6 tt0 -115.59 -28.31 6.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.947 0.403 . . . . 0.0 110.286 179.292 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 43.2 t 175.4 38.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.829 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 mttp -155.2 118.73 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.813 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.7 tt -45.58 113.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -50.82 143.14 15.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.816 -179.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.27 123.92 12.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.513 2.142 . . . . 0.0 112.521 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -44.66 150.62 0.33 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.468 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.86 17.54 80.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.6 m -127.62 121.08 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.515 179.897 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 8.0 t -51.12 126.52 16.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.056 0.455 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.6 p -104.31 -39.59 6.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.997 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' A' ' 25' ' ' THR . 1.2 t90 -86.38 -74.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.777 -179.075 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 56.28 23.94 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.505 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.789 HG23 ' H ' ' A' ' 28' ' ' SER . 10.2 t -54.67 167.16 0.38 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.3 m -84.2 56.73 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.212 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p 178.1 -34.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.343 179.759 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.789 ' H ' HG23 ' A' ' 25' ' ' THR . 4.5 t -153.0 99.95 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 -179.607 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.413 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 18.4 m -86.01 154.76 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.671 179.577 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' C ' ' A' ' 29' ' ' SER . 23.9 m-70 -143.87 -172.2 3.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.832 0.348 . . . . 0.0 111.223 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.66 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 4.9 m-85 -141.36 126.48 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -68.98 140.64 55.03 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.595 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.443 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 13.2 p -99.85 19.27 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.741 -179.888 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.691 ' HA2' HD22 ' A' ' 15' ' ' LEU . . . 46.06 27.33 2.48 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.89 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.813 ' C ' HD11 ' A' ' 15' ' ' LEU . 6.2 mtt85 -114.81 -28.43 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.729 ' N ' HD11 ' A' ' 15' ' ' LEU . 2.0 t -146.69 171.39 15.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.629 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 2.2 m -102.25 17.74 22.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 111.015 179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -126.27 103.81 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 8' ' ' PRO . 33.6 m -53.65 143.64 37.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.348 -179.779 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.85 178.17 7.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.624 2.216 . . . . 0.0 112.168 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -98.04 35.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.54 144.07 15.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.45 148.78 43.45 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.531 2.154 . . . . 0.0 112.324 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.74 114.41 4.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -163.98 -44.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.48 179.985 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -133.13 85.57 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.52 -179.21 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -40.06 16.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 37' ' ' CYS . 4.1 m 58.93 68.54 0.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 p -94.93 158.89 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.49 -177.93 34.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.4 -24.13 37.18 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.773 2.315 . . . . 0.0 112.724 -179.81 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 50.9 t -107.5 53.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.428 . . . . 0.0 111.157 -179.832 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.38 115.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.006 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 46.18 87.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.504 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.4 m 34.85 53.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.26 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -153.1 114.0 4.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.764 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.6 mt -47.09 106.11 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.472 179.772 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -56.71 145.33 62.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.303 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.43 131.91 22.72 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.511 2.141 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -49.56 163.45 0.12 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.74 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.69 9.22 65.06 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.526 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.5 m -116.3 118.25 32.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.686 0.279 . . . . 0.0 110.507 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 21' ' ' THR . 9.5 t -43.66 96.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.985 0.421 . . . . 0.0 111.308 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' HIS . 8.3 p -60.63 -38.87 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.325 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -105.46 -72.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.449 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.59 ' HG3' HG21 ' A' ' 21' ' ' THR . 6.8 tttt 71.84 24.63 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 27' ' ' VAL . 98.1 m -62.17 148.23 45.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 179.808 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 t -47.16 -28.59 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.593 -179.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.56 ' H ' HG22 ' A' ' 25' ' ' THR . 12.5 p -119.13 -27.63 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.747 -179.699 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 25' ' ' THR . 0.3 OUTLIER -118.36 92.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.839 -179.194 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.44 ' C ' ' CD2' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -100.69 123.32 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.746 178.805 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 29' ' ' SER . 5.3 m-70 -137.07 146.52 45.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.991 -178.856 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-30 -98.88 137.2 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 143.22 56.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -94.07 10.47 33.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.54 179.325 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 44.8 56.1 5.94 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.921 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -169.04 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.644 0.259 . . . . 0.0 111.603 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -133.66 162.51 31.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.38 . . . . 0.0 111.347 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 5' ' ' THR . 28.4 m -82.79 -19.33 37.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.35 138.0 57.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.1 m -107.12 129.76 23.85 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.003 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.84 178.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.384 2.056 . . . . 0.0 112.103 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -109.19 30.9 6.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -160.69 146.96 11.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.84 152.0 36.48 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.564 2.176 . . . . 0.0 112.397 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.4 178.14 35.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 43.97 34.55 0.95 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.782 0.325 . . . . 0.0 111.421 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.517 -179.986 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.834 0.349 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 mtt 60.35 110.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -131.77 153.44 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -78.82 149.52 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.5 m -112.64 62.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.333 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -41.95 118.14 1.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.62 -179.51 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.23 -166.88 20.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.32 -9.45 21.73 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.629 2.219 . . . . 0.0 112.839 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 51.3 t -118.84 -23.31 7.01 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.64 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.27 137.85 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -121.26 93.51 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 77.86 -57.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -174.9 32.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -161.68 118.3 2.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.622 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -45.94 120.13 2.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.758 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -46.24 168.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.18 145.82 79.67 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.614 2.21 . . . . 0.0 112.423 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -60.14 154.93 18.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.643 179.533 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.93 18.9 69.23 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.401 -179.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.2 m -117.56 124.31 48.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.749 0.309 . . . . 0.0 110.417 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.868 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -50.06 123.94 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 111.005 -179.762 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 23.6 p -111.11 -35.53 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.31 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 -73.26 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.437 -179.571 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.4 tttp 61.45 37.77 16.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.02 173.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -67.73 -29.85 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.9 p -139.44 39.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.66 -75.61 0.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.013 -179.886 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 43.8 m 53.72 97.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.186 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 6.0 m-70 -131.73 132.61 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.134 -179.306 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.868 ' CE1' HG23 ' A' ' 21' ' ' THR . 4.4 m-85 -85.77 160.84 19.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 162.98 12.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.673 179.778 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.462 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 7.5 p -117.78 20.51 13.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 26.74 5.87 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.785 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.76 -36.28 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.596 ' HA ' HD22 ' A' ' 15' ' ' LEU . 35.5 m -139.39 171.39 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.5 m -91.63 8.11 38.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 159.0 16.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.731 179.752 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.8 m -104.41 135.33 19.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 39' ' ' CYS . 51.8 Cg_exo -54.99 177.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.199 179.827 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -101.74 24.69 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -149.2 147.89 25.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.72 -168.19 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.07 -149.01 19.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -94.48 -45.69 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.508 179.975 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mmt -63.62 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -132.22 156.17 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HB3' ' HA ' ' A' ' 13' ' ' CYS . 89.8 m 62.1 147.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.459 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -89.23 109.58 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.768 179.848 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.89 152.69 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.92 -162.14 28.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.24 -25.03 7.47 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.738 2.292 . . . . 0.0 113.031 -179.63 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 15' ' ' LEU . 53.7 t -114.82 69.4 0.72 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.76 0.314 . . . . 0.0 111.376 -179.782 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.06 7.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.659 179.692 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -137.31 6.17 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.58 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 4' ' ' CYS . 44.1 t 177.66 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 111.044 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -112.52 141.29 46.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HA ' ' A' ' 36' ' ' SER . 1.7 pp -50.81 127.55 18.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.732 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.739 ' O ' HD12 ' A' ' 15' ' ' LEU . 7.1 mttt -47.28 160.45 0.36 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.285 -179.403 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -74.66 152.07 42.1 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.794 2.329 . . . . 0.0 113.037 -179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -58.25 166.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.002 179.45 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.53 18.08 35.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.552 -179.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 m -126.34 114.51 18.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.755 HG21 ' HD3' ' A' ' 24' ' ' LYS . 14.3 t -49.63 115.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.997 -179.88 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.5 p -90.16 -30.5 17.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.179 -179.756 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -75.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.321 -179.622 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.755 ' HD3' HG21 ' A' ' 21' ' ' THR . 4.7 tptt 59.4 27.82 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 28' ' ' SER . 6.7 t -55.79 168.74 0.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.483 179.777 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.36 57.51 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.358 -179.532 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 26' ' ' SER . 9.5 p 177.14 -35.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.433 179.697 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.783 ' H ' HG23 ' A' ' 25' ' ' THR . 0.3 OUTLIER -110.4 -79.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.598 -179.366 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 25' ' ' THR . 1.2 m 79.2 119.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.4 -179.311 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -135.3 172.64 12.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.679 -178.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 1.3 m-85 -122.93 126.36 47.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.276 179.51 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.6 153.87 32.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.022 0.439 . . . . 0.0 111.186 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.497 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.1 p -109.97 21.28 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.509 179.759 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.529 ' C ' HD11 ' A' ' 15' ' ' LEU . . . 47.34 27.9 4.27 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.825 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -103.02 -32.73 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.74 ' HA ' HD22 ' A' ' 15' ' ' LEU . 30.6 t -163.3 170.91 16.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 5' ' ' THR . 1.6 m -71.96 -21.36 61.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -72.23 130.88 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.3 m -95.95 142.87 25.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.96 177.79 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.177 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -111.47 28.6 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -148.52 146.3 22.22 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.11 129.57 15.32 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.466 2.111 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.9 41.3 2.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -67.68 -32.19 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.52 179.987 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.893 0.378 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.2 ttm -106.22 34.63 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -138.99 107.72 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.29 -21.78 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 64.1 130.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.767 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -130.94 128.36 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -153.33 20.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.763 -179.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.07 -50.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.791 2.327 . . . . 0.0 113.219 -179.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -49.71 73.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -179.47 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 p -81.98 127.09 32.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -54.96 -81.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.46 8.72 1.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.694 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.58 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -121.37 129.46 53.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 -179.749 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -50.13 117.7 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.703 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -48.47 138.43 11.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.963 -179.689 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.59 140.01 75.74 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.616 2.21 . . . . 0.0 112.381 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.96 149.05 0.94 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.199 179.883 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.05 9.23 85.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.374 -179.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -109.88 116.06 30.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 31' ' ' TYR . 4.2 t -43.12 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.427 -179.635 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.6 p -64.09 -17.25 63.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.454 -179.721 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -76.75 0.58 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.815 -179.671 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG3' HG21 ' A' ' 21' ' ' THR . 4.8 tttt 66.96 22.75 10.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.821 -179.417 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 28' ' ' SER . 12.2 t -54.67 174.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.626 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.609 ' O ' HG13 ' A' ' 27' ' ' VAL . 89.1 p -83.85 12.35 6.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.907 -179.542 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.82 ' H ' HG23 ' A' ' 25' ' ' THR . 2.9 m -160.86 28.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.627 0.251 . . . . 0.0 111.381 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.929 ' O ' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER 168.15 92.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.073 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -95.64 132.81 40.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.719 179.788 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' O ' ' HA ' ' A' ' 21' ' ' THR . 7.6 m-70 -126.64 -160.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 21' ' ' THR . 11.0 m-85 -154.95 130.24 9.67 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -179.802 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.99 148.99 41.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 p -104.08 18.68 21.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.79 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.7 48.58 17.58 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.82 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -133.67 -44.9 0.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.854 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.89 174.49 10.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.821 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' HB3' HG22 ' A' ' 5' ' ' THR . 52.8 t -80.4 -3.22 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.7 121.49 25.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -91.68 115.77 65.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.659 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -43.34 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.628 2.218 . . . . 0.0 112.682 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.3 p -104.33 27.27 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -146.5 147.33 30.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.38 154.24 50.76 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.558 2.172 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.63 -53.98 41.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -85.92 91.11 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.882 0.372 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.18 35.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -150.64 85.45 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.2 m -103.56 151.81 22.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 99.1 m -119.96 81.82 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -47.64 109.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.324 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 166.64 36.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.25 -21.3 43.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -90.31 -33.07 16.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.865 0.364 . . . . 0.0 110.71 179.836 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 117.47 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.789 179.796 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -64.12 -16.66 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 169.14 -29.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.908 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.56 -40.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 179.814 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.78 148.27 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.643 179.792 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.733 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -53.12 125.11 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.987 -179.911 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -52.79 159.76 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.99 131.21 26.43 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.537 2.158 . . . . 0.0 112.367 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.03 116.55 1.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.725 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 16.12 7.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -120.58 136.5 54.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.663 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.71 124.7 20.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.273 -179.634 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.6 p -109.04 25.16 12.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.002 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -73.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 111.542 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 5.5 ttpm? 63.23 32.49 14.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.63 -179.697 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 28' ' ' SER . 14.1 m -67.56 165.06 17.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.817 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 25' ' ' THR . 1.5 m -66.79 -26.58 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.702 -179.454 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.2 p -131.09 34.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.28 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -148.95 -75.49 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.845 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 53.7 m 51.69 98.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.798 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.0 m-70 -130.2 173.58 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.476 -178.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 21' ' ' THR . 26.7 m-85 -129.66 159.34 36.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.047 -179.931 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 153.38 21.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -111.64 23.26 14.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.82 28.83 7.51 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.733 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -109.05 -64.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 111.041 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 p -128.95 171.9 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.6 m -87.08 3.4 46.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -92.93 92.47 7.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.65 126.49 13.24 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.746 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 12.4 Cg_endo -56.12 159.8 11.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 112.499 -179.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -97.51 25.38 5.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 38.4 p90 -139.67 147.42 51.74 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.84 155.75 57.66 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.54 2.16 . . . . 0.0 112.298 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.81 28.33 15.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -118.25 31.24 6.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.479 -179.99 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.3 mtt -105.36 -58.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -105.51 142.86 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.0 m -81.74 125.5 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.687 HG22 ' HB2' ' A' ' 37' ' ' CYS . 1.1 m -58.75 94.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.67 179.644 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.1 126.24 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 -179.691 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 179.94 39.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.75 -14.69 13.89 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.701 2.268 . . . . 0.0 113.314 -179.467 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 1.2 t -100.67 21.47 13.38 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.571 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' HD22 ' A' ' 15' ' ' LEU . 60.8 m -132.39 135.11 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 179.707 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -54.83 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 5.4 tt0 -145.65 6.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 45.3 t 177.17 -30.62 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.918 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -112.41 154.08 26.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.352 -179.397 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.85 HD11 ' O ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -59.68 120.89 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.624 179.696 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -55.3 146.13 43.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.36 131.84 35.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.515 2.143 . . . . 0.0 112.408 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.38 154.6 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.035 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.61 20.6 77.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.343 -179.713 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -127.69 131.54 49.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.682 0.277 . . . . 0.0 110.648 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.992 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -53.66 140.59 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 p -140.99 26.92 2.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.508 -179.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' LYS . 1.2 t90 -157.95 -65.72 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' TRP . 6.0 ptpp? 45.81 47.77 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.14 0.495 . . . . 0.0 110.486 -179.252 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 25' ' ' THR . 98.6 m -67.21 64.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.463 -179.365 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m 72.29 -57.01 0.64 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.23 0.538 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 28' ' ' SER . 8.1 p -129.01 -40.74 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.706 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -76.0 87.5 2.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.72 179.792 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.42 110.5 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.238 179.698 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.5 m-70 -110.78 125.16 53.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.309 -179.179 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.992 ' CE2' HG23 ' A' ' 21' ' ' THR . 3.2 m-85 -80.66 151.5 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.25 153.09 32.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.9 p -105.2 12.88 31.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.617 179.41 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.56 55.22 7.11 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.77 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttm-85 -160.08 -41.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.695 -179.744 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.85 ' O ' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -132.21 153.59 50.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 111.458 -179.596 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.687 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -72.71 -12.62 61.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.078 179.715 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -87.6 108.34 19.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.977 -179.884 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.19 148.2 95.93 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.751 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 54.0 Cg_exo -52.0 177.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.53 2.153 . . . . 0.0 112.237 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 t -117.57 36.9 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 40' ' ' PRO . 44.4 p90 -152.93 148.29 20.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.11 -168.06 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.588 2.192 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.76 -78.89 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -92.86 104.57 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.474 179.99 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 mtm -108.0 -32.78 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -156.01 32.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m 63.39 -77.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 3.9 m 74.5 72.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.91 126.92 27.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.87 -152.51 8.48 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.43 -45.9 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.572 2.182 . . . . 0.0 112.246 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.6 OUTLIER -72.03 -35.65 69.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.048 0.452 . . . . 0.0 110.529 179.631 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -69.19 168.47 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -167.59 -66.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' CYS . 26.5 mt-30 -98.05 19.44 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.827 179.563 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER 82.92 31.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.405 -179.296 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -154.05 112.62 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.26 179.819 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.791 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.45 118.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.164 0.507 . . . . 0.0 111.994 -179.396 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -46.2 151.11 0.98 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.05 179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.93 143.15 99.7 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 165.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.69 22.95 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -124.21 123.51 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' CE1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -55.19 113.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.736 179.908 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 29.0 p -95.07 -40.72 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.36 -179.449 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.441 ' CD1' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER -99.19 -58.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.305 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.2 30.2 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.199 -179.618 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.546 HG22 HG12 ' A' ' 27' ' ' VAL . 6.4 m -62.91 141.01 58.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -54.3 -30.71 51.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 HG22 ' A' ' 25' ' ' THR . 12.1 p -89.92 -28.44 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -156.13 107.74 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -179.539 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -98.89 122.42 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.9 m-70 -122.14 -170.42 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CE1' HG23 ' A' ' 21' ' ' THR . 9.6 m-85 -142.46 157.13 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.72 179.864 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.8 148.21 24.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.764 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.6 p -103.95 15.98 27.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.839 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 33.92 6.75 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.937 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.51 -46.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.369 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 t -127.79 172.59 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.799 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 94.0 m -103.97 17.98 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -112.94 98.88 7.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.755 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.8 137.54 83.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 177.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.404 2.069 . . . . 0.0 112.178 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 m -111.72 37.69 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -162.6 149.52 10.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.39 158.48 56.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.565 2.177 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.01 157.31 6.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -74.66 -32.03 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.84 0.353 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.9 ttm -172.85 145.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.49 85.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -100.54 -50.72 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.613 HG22 ' HB2' ' A' ' 37' ' ' CYS . 7.1 m 68.72 140.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.496 -179.876 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.4 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.054 -179.744 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.84 166.78 15.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.624 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HG2' ' HB3' ' A' ' 39' ' ' CYS . 46.6 Cg_endo -68.61 -8.97 24.75 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.756 2.304 . . . . 0.0 112.915 -179.805 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -102.01 42.19 1.16 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.807 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 p -176.89 131.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.53 106.66 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.05 179.352 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 70.37 -68.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.011 0.434 . . . . 0.0 109.849 -178.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 31.5 p -163.85 31.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.474 179.151 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.56 116.3 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 36' ' ' SER . 16.0 mt -44.44 100.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.797 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.94 140.16 69.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.64 135.69 58.11 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.519 2.146 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.2 164.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.48 17.04 56.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.401 -179.638 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.0 m -120.69 136.14 54.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 110.442 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -56.92 128.02 34.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.345 -179.569 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 7.1 p -109.98 24.19 13.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.961 179.662 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -165.1 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 111.565 179.925 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 tttm 55.44 33.38 20.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.728 -179.616 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' SER . 15.3 t -52.77 177.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -61.5 -22.76 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.272 -179.147 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.598 ' H ' HG23 ' A' ' 25' ' ' THR . 23.1 t -154.24 47.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.811 0.339 . . . . 0.0 111.575 -179.5 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.909 ' O ' HG22 ' A' ' 25' ' ' THR . 0.5 OUTLIER 175.11 86.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.056 179.837 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -94.41 130.26 40.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.793 179.825 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 21' ' ' THR . 9.9 m-70 -122.8 -176.72 3.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 2.3 m-85 -131.97 155.72 47.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.09 -179.725 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.08 150.68 23.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.725 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.7 t -109.26 16.51 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.743 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.4 37.34 8.3 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.86 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' HB2' HG23 ' A' ' 33' ' ' THR . 77.5 mtt180 -118.13 -39.25 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.808 0.337 . . . . 0.0 111.193 -179.737 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.66 ' HA ' HD21 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -149.26 170.45 18.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.613 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.3 m -76.76 -10.24 59.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.377 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -77.64 119.43 21.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.062 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.408 ' HB3' ' HG2' ' A' ' 8' ' ' PRO . 53.8 t -86.3 113.7 53.64 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HB3' ' CE2' ' A' ' 42' ' ' TYR . 91.0 Cg_exo -44.02 163.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.662 2.242 . . . . 0.0 112.672 -179.742 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 1.6 m -101.0 29.42 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 40' ' ' PRO . 16.2 p90 -133.87 146.79 61.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.75 148.33 41.23 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.584 2.189 . . . . 0.0 112.376 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' CD1' ' A' ' 31' ' ' TYR . . . -59.86 107.9 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -91.37 -55.63 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.451 179.953 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.1 mtp -134.93 142.68 46.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.56 173.15 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.53 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.6 p -141.07 140.71 34.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 5' ' ' THR . 94.9 m -99.86 61.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.45 179.769 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -28.66 117.31 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.089 -179.639 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.61 -147.67 5.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.507 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.42 -20.59 5.79 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.772 2.315 . . . . 0.0 113.209 -179.552 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -106.3 41.24 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.817 0.341 . . . . 0.0 111.467 -179.49 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 p 176.66 177.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.777 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 179.94 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.41 6.16 24.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.53 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 48.6 t 68.08 44.64 1.43 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -167.55 51.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.458 . . . . 0.0 111.197 179.609 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.851 HD21 ' HA ' ' A' ' 36' ' ' SER . 0.1 OUTLIER 39.54 105.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.329 179.248 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -47.21 146.08 3.27 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.997 179.422 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.01 139.09 77.11 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.565 2.177 . . . . 0.0 112.513 -179.798 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.12 169.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.78 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 58.76 19.79 44.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.411 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.5 m -118.5 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.751 0.31 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -57.22 127.69 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.166 -179.764 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -110.94 28.09 9.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.607 ' CE3' ' HB3' ' A' ' 28' ' ' SER . 0.0 OUTLIER -165.47 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.99 0.424 . . . . 0.0 111.137 179.74 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 tttt 51.49 26.84 3.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 -179.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 172.72 1.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.014 -179.784 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -20.1 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.84 -27.62 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.365 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.607 ' HB3' ' CE3' ' A' ' 23' ' ' TRP . 11.1 t -148.61 -170.14 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.098 0.475 . . . . 0.0 111.738 -179.088 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p 179.55 122.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.305 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -131.71 -167.58 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.083 -179.23 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -133.99 162.09 33.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.18 156.19 17.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 p -112.26 16.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.95 48.97 18.49 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.839 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -138.31 -45.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.232 -179.809 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.851 ' HA ' HD21 ' A' ' 15' ' ' LEU . 1.9 m -142.3 165.45 27.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 54.1 m -83.82 -1.13 53.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.471 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.86 83.16 6.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.3 t -57.93 136.24 83.66 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.03 147.35 5.15 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.567 2.178 . . . . 0.0 112.62 -179.764 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.73 18.07 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -144.08 144.3 25.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.683 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.9 153.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.467 2.111 . . . . 0.0 112.393 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.0 128.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -60.95 -37.22 81.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.514 -179.988 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.852 0.358 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mtt -153.61 154.79 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.8 33.64 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 m -89.37 165.68 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.519 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -105.04 98.17 7.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.623 179.916 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -86.13 146.94 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 179.82 19.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -74.03 -23.58 15.9 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.654 2.236 . . . . 0.0 112.574 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 0.1 OUTLIER -100.89 47.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.005 0.431 . . . . 0.0 111.041 -179.891 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 130.8 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -58.3 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 1.7 tm0? -142.74 7.0 1.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.725 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 50.6 t 177.09 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.241 . . . . 0.0 111.379 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -115.04 157.02 24.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 110.975 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 36' ' ' SER . 2.3 mt -58.06 128.67 38.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.657 179.811 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -52.7 145.74 20.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.636 179.883 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.14 122.07 10.97 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.128 . . . . 0.0 112.3 -179.861 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.75 1.88 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.36 25.86 64.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.182 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -131.2 136.83 48.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.298 . . . . 0.0 110.645 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.987 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -59.05 124.95 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.805 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 30.5 p -104.32 -41.0 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 -179.824 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -72.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 111.242 -179.801 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER 62.66 30.93 16.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 179.857 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 26' ' ' SER . 1.6 m -64.29 172.61 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.583 179.742 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 25' ' ' THR . 0.7 OUTLIER -86.75 46.83 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 26' ' ' SER . 7.6 p 173.42 -35.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.5 179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -76.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.129 -179.7 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 71.0 m 59.48 97.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.976 -179.805 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.1 m-70 -131.31 169.89 15.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.292 -179.182 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.987 ' CE2' HG23 ' A' ' 21' ' ' THR . 5.7 m-85 -118.26 159.33 23.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.663 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 149.84 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.5 p -109.36 17.72 21.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.61 179.489 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 49.78 16.09 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.765 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.5 ttt180 -138.3 -45.98 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.428 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.524 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -140.28 162.56 34.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.733 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' SG ' HG22 ' A' ' 5' ' ' THR . 1.7 m -78.42 -7.42 57.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.376 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.25 102.16 12.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.331 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -62.11 144.89 93.99 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 179.937 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -51.77 171.22 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.4 m -111.13 23.76 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -149.7 146.2 20.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.761 179.891 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.32 108.28 2.46 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.5 2.133 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.59 -28.52 65.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.25 -31.17 69.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.484 -179.968 . . . . . . . . 0 0 . 1 stop_ save_